Results for:
chemical Classification: pyrimidines

[1,2,4]triazolo[4,3-a]pyrimidine

Compound Details

Synonymous names

[1,2,4]triazolo[4,3-a]pyrimidine

274-98-6

1,2,4-Triazolo[4,3-a]pyrimidine

1,2,4-Triazolo(4,3-a)pyrimidine

NSC404278

SCHEMBL1062021

DTXSID90323553

DOLWUAMIJZGVTC-UHFFFAOYSA-N

AKOS006279497

NSC-404278

Microorganism:

Yes

IUPAC name

[1,2,4]triazolo[4,3-a]pyrimidine

SMILES

C1=CN2C=NN=C2N=C1

Inchi

InChI=1S/C5H4N4/c1-2-6-5-8-7-4-9(5)3-1/h1-4H

Formula

C₅H₄N₄

PubChem ID

346171

Molweight

120.11

LogP

0.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds pyrimidines nitrogen compounds triazoles

Supernatural-ID

SN0071157

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

1-cyclohexyl-6-hydroxy-5-(2-piperazin-1-ylethyliminomethyl)pyrimidine-2,4-dione

Compound Details

Synonymous names

FWFBVFMJVPCPAR-WYMLVPIESA-N

STL337344

AKOS022138922

MCULE-3156459122

Pyrimidine-2,4,6-trione, 1-cyclohexyl-5-[(2-piperazin-1-yl-ethylamino)methylene]-

(5E)-1-cyclohexyl-5-({[2-(piperazin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione

Microorganism:

Yes

IUPAC name

1-cyclohexyl-6-hydroxy-5-(2-piperazin-1-ylethyliminomethyl)pyrimidine-2,4-dione

SMILES

C1CCC(CC1)N2C(=C(C(=O)NC2=O)C=NCCN3CCNCC3)O

Inchi

InChI=1S/C17H27N5O3/c23-15-14(12-19-8-11-21-9-6-18-7-10-21)16(24)22(17(25)20-15)13-4-2-1-3-5-13/h12-13,18,24H,1-11H2,(H,20,23,25)

Formula

C₁₇H₂₇N₅O₃

PubChem ID

1845939

Molweight

349.4

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

pyrimidines piperazines amides nitrogen compounds alcohols amines imines

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

2-phenylpyrimidine

Compound Details

Synonymous names

2-Phenylpyrimidine

7431-45-0

2-phenyl-pyrimidine

phenylpyrimidine

Pyrimidine,2-phenyl-

SCHEMBL33833

2-Phenylpyrimidine, AldrichCPR

DTXSID001345934

MFCD04038761

AKOS006344714

PS-6060

SB57411

P1945

C76372

A838087

J-510269

Q63398511

(+/-)-CIS-3-METHYL-2-PIPERIDINECARBOXYLICACID

Microorganism:

Yes

IUPAC name

2-phenylpyrimidine

SMILES

C1=CC=C(C=C1)C2=NC=CC=N2

Inchi

InChI=1S/C10H8N2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-8H

Formula

C₁₀H₈N₂

PubChem ID

593578

Molweight

156.18

LogP

2.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds pyrimidines heterocyclic compounds benzenoids

mVOC Specific Details

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002045

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no

6-(methylamino)-1H-pyrimidin-2-one

Compound Details

Synonymous names

6220-47-9

N(4)-methylcytosine

4-(METHYLAMINO)-2-PYRIMIDINOL

6-(METHYLAMINO)PYRIMIDIN-2(1H)-ONE

6-(methylamino)-1H-pyrimidin-2-one

4-methylamino-1H-pyrimidin-2-one

4-(methylamino)pyrimidin-2(1H)-one

N4-Methylcytosine

4N-Methylcytosine

4-Methylaminocytosine

4-(methylamino)pyrimidin-2-ol

2(1H)-Pyrimidinone, 4-(methylamino)-

NoName_3509

6-(METHYLAMINO)-2(1H)-PYRIMIDINONE

SCHEMBL19930

SCHEMBL13030167

CHEBI:21839

DTXSID40902933

PJKKQFAEFWCNAQ-UHFFFAOYSA-N

AMY16237

4-(Methylamino)-2(1H)-pyrimidinone

AKOS006330221

AB60627

MCULE-3945208648

4-(Methylamino)-2(1H)-pyrimidinone #

DB-073065

CS-0366447

F81507

A935251

J-513768

Q15632688

Microorganism:

Yes

IUPAC name

6-(methylamino)-1H-pyrimidin-2-one

SMILES

CNC1=CC=NC(=O)N1

Inchi

InChI=1S/C5H7N3O/c1-6-4-2-3-7-5(9)8-4/h2-3H,1H3,(H2,6,7,8,9)

Formula

C₅H₇N₃O

PubChem ID

122004

Molweight

125.13

LogP

-1.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds pyrimidines nitrogen compounds amines heterocyclic compounds

CHEBI-ID

21839

Supernatural-ID

SN0287040

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

2-amino-4-hydroxy-1H-pyrimidin-6-one

Compound Details

Synonymous names

2-Amino-4,6-dihydroxypyrimidine

56-09-7

2-Aminopyrimidine-4,6-diol

2-Amino-6-hydroxypyrimidin-4(3H)-one

40497-31-2

4(1H)-Pyrimidinone, 2-amino-6-hydroxy-

2-Amino-4,6-pyrimidinedione

2-amino-4-hydroxy-1H-pyrimidin-6-one

2-Amino-4,6-dioxypyrimidine

4,6-Dihydroxy-2-aminopyrimidine

MFCD00006094

2-Amino-6-hydroxy-4(1H)-pyrimidinone

2-Amino-46-dihydroxypyrimidine

2-Amino-4,6-pyrimidinediol

2-Amino-6-hydroxy-1H-pyrimidin-4-one

EINECS 200-256-5

NSC 15920

NSC15920

4(3H)-Pyrimidinone, 2-amino-6-hydroxy-

SCHEMBL95816

2-Amino-4,6-pyrimidinediol #

DTXSID3052222

CHEBI:180516

2-amino-4,6-dihydroxy-pyrimidine

NSC18692

STR03179

BBL018593

NSC-15920

NSC-18692

STK046515

AKOS000119761

AKOS017269531

AKOS028108999

AE F094206

BS-3761

MCULE-4117049408

SB57255

2-Amino-6-hydroxy-4(3H)-pyrimidinone

2-Amino-6-hydroxypyrimidin-4(1H)-one

2-Amino-4,6-dihydroxypyrimidine, 98%

AC-11331

AC-31088

SY001428

DB-010229

A1099

AM20100371

CS-0015335

NS00033455

NS00067107

EN300-18258

2-AMINO-6-HYDROXY-3H-PYRIMIDIN-4-ONE

A25670

W-105531

Q18611678

Z203045126

2-Amino-6-hydroxy-4(1H)-Pyrimidinone;2-Amino-4,6-pyrimidinedioL;2-Amino-4,6-dihydroxypyrimidine

Microorganism:

Yes

IUPAC name

2-amino-4-hydroxy-1H-pyrimidin-6-one

SMILES

C1=C(N=C(NC1=O)N)O

Inchi

InChI=1S/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)

Formula

C₄H₅N₃O₂

PubChem ID

66131

Molweight

127.1

LogP

-1.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds pyrimidines nitrogen compounds amines heterocyclic compounds

CHEBI-ID

180516

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

(2,4,6-triaminopyrimidin-5-yl) Hydrogen Sulfate

Compound Details

Synonymous names

2,4,6-Triamino-5-pyrimidinyl hydrogen sulfate

71552-23-3

QIMCHUDSVIDYRZ-UHFFFAOYSA-N

DTXSID201220384

5-Pyrimidinol, 2,4,6-triamino-, 5-(hydrogen sulfate)

Microorganism:

Yes

IUPAC name

(2,4,6-triaminopyrimidin-5-yl) hydrogen sulfate

SMILES

C1(=C(N=C(N=C1N)N)N)OS(=O)(=O)O

Inchi

InChI=1S/C4H7N5O4S/c5-2-1(13-14(10,11)12)3(6)9-4(7)8-2/h(H,10,11,12)(H6,5,6,7,8,9)

Formula

C₄H₇N₅O₄S

PubChem ID

548550

Molweight

221.2

LogP

-1.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

amines sulfur compounds aromatic compounds nitrogen compounds heterocyclic compounds pyrimidines sulfates

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	GC-MS	no

Imidazo[1,2-a]pyrimidine

Compound Details

Synonymous names

Imidazo[1,2-a]pyrimidine

274-95-3

MFCD06245377

1,3a,7-Triazaindene

1,8-Diazaindolizine

8-Azapyrimidazole

3,4-Diazaindolizine

Imidazo[1,2-a]-pyrimidine

SCHEMBL66214

imidazo[1,2-alpha]pyrimidine

CHEMBL206082

DTXSID80341928

Imidazo[1 pound not2-a]pyrimidine

STL302092

AKOS005071564

CS-W003279

Imidazo[1,2-a]pyrimidine, AldrichCPR

MCULE-3840032247

SY007505

DB-037997

AM20090342

I0798

EN300-67236

9X-0834

A819094

J-521506

Microorganism:

Yes

IUPAC name

imidazo[1,2-a]pyrimidine

SMILES

C1=CN2C=CN=C2N=C1

Inchi

InChI=1S/C6H5N3/c1-2-7-6-8-3-5-9(6)4-1/h1-5H

Formula

C₆H₅N₃

PubChem ID

577018

Molweight

119.12

LogP

1.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

imidazoles heterocyclic compounds nitrogen compounds pyrimidines

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

1,3,6-trimethylpyrimidine-2,4-dione

Compound Details

Synonymous names

13509-52-9

1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione

1,3,4-Trimethyl uracil

1,3,6-Trimethyluracil

1,3,6-trimethylpyrimidine-2,4-dione

2,4(1H,3H)-Pyrimidinedione, 1,3,6-trimethyl-

Uracil, 1,3,6-trimethyl-

1,3,6-TRIMETHYL-2,4(1H,3H)-PYRIMIDINEDIONE

MFCD00234354

1,3,6-trimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

1,3,4-Trimethyluracil

EINECS 236-838-0

1,3,6-Trimethyl-1H,3H-pyrimidine-2,4-dione

SCHEMBL91340

DTXSID00159249

ALBB-035806

STL581704

AKOS002304148

CS-W006928

DS-2793

SB57818

DA-30495

SY108548

NS00024372

A887753

SR-01000398992

SR-01000398992-1

Microorganism:

IUPAC name

1,3,6-trimethylpyrimidine-2,4-dione

SMILES

CC1=CC(=O)N(C(=O)N1C)C

Inchi

InChI=1S/C7H10N2O2/c1-5-4-6(10)9(3)7(11)8(5)2/h4H,1-3H3

Formula

C₇H₁₀N₂O₂

PubChem ID

26075

Molweight

154.17

LogP

-0.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

pyrimidines nitrogen compounds

Supernatural-ID

SN0113191

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
	Aspergillus Flavus			Kate et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
	Aspergillus Flavus	inoculated potato samples	GC-MS	no

N-(4,6-diaminopyrimidin-5-yl)formamide

Compound Details

Synonymous names

5122-36-1

FAPy-adenine

N-(4,6-diaminopyrimidin-5-yl)formamide

Fapyade

4,6-Diamino-5-formamidopyrimidine

FAPy

Formamide, N-(4,6-diamino-5-pyrimidinyl)-

4,6-Diamino-5-N-formamidopyrimidine

4,6-Diamino-5-(formylamino)-pyrimidine

4,6-Diamino-5-(formylamino)pyrimidine

N-(4,6-Diamino-5-pyrimidinyl)formamide

4,6-Diamino-5-pyrimidinylformamide

SCHEMBL435598

CHEBI:27983

DTXSID20199228

MVYUVUOSXNYQLL-UHFFFAOYSA-N

4,6-Diamino-5-pyrimidinylformamide #

AKOS006271503

SB57660

MS-22866

N-(4,6-diamino-5-pyrimidinyl)-Formamide

HY-113303

CS-0059551

C06502

C15896

Q27103440

Microorganism:

IUPAC name

N-(4,6-diaminopyrimidin-5-yl)formamide

SMILES

C1=NC(=C(C(=N1)N)NC=O)N

Inchi

InChI=1S/C5H7N5O/c6-4-3(10-2-11)5(7)9-1-8-4/h1-2H,(H,10,11)(H4,6,7,8,9)

Formula

C₅H₇N₅O

PubChem ID

114926

Molweight

153.14

LogP

-1.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

amines aromatic compounds heterocyclic compounds nitrogen compounds pyrimidines

CHEBI-ID

27983

Supernatural-ID

SN0236878

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
	Aspergillus Niger			Kate et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
	Aspergillus Niger	inoculated potato samples	GC-MS	no

5-chloro-4,6-bis(dichloromethyl)pyrimidin-2-amine

Compound Details

Synonymous names

Pyrimidine 2-amino-5-chloro-4,6,-bis[dichloromethyl]-

KKKZDOUEVAHGGO-UHFFFAOYSA-N

5-Chloro-4,6-bis(dichloromethyl)-2-pyrimidinamine #

Microorganism:

IUPAC name

5-chloro-4,6-bis(dichloromethyl)pyrimidin-2-amine

SMILES

C1(=C(N=C(N=C1C(Cl)Cl)N)C(Cl)Cl)Cl

Inchi

InChI=1S/C6H4Cl5N3/c7-1-2(4(8)9)13-6(12)14-3(1)5(10)11/h4-5H,(H2,12,13,14)

Formula

C₆H₄Cl₅N₃

PubChem ID

621385

Molweight

295.4

LogP

2.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

amines aromatic compounds chlorides halogenated compounds nitrogen compounds pyrimidines

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
	Aspergillus Niger			Kate et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
	Aspergillus Niger	inoculated potato samples	GC-MS	no

2-[4-(4-heptylphenyl)phenyl]-5-hexylpyrimidine

Compound Details

Synonymous names

Pyrimidine, 2-(4'-heptyl[1,1'-biphenyl]-4-yl)-5-hexyl-

92519-52-3

SCHEMBL9227943

DTXSID60348293

MBHGALQIQUJELF-UHFFFAOYSA-N

2-(4'-Heptyl-biphenyl-4-yl)-5-hexyl-pyrimidine

2-(4'-Heptyl[1,1'-biphenyl]-4-yl)-5-hexylpyrimidine #

Microorganism:

IUPAC name

2-[4-(4-heptylphenyl)phenyl]-5-hexylpyrimidine

SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC

Inchi

InChI=1S/C29H38N2/c1-3-5-7-9-11-12-24-14-16-26(17-15-24)27-18-20-28(21-19-27)29-30-22-25(23-31-29)13-10-8-6-4-2/h14-23H,3-13H2,1-2H3

Formula

C₂₉H₃₈N₂

PubChem ID

634413

Molweight

414.6

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds benzenoids heterocyclic compounds nitrogen compounds pyrimidines

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
	Aspergillus Flavus			Kate et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
	Aspergillus Flavus	inoculated potato samples	GC-MS	no

(4,6-dimethoxypyrimidin-2-yl)hydrazine

Compound Details

Synonymous names

13223-30-8

2-hydrazinyl-4,6-dimethoxypyrimidine

(4,6-DIMETHOXYPYRIMIDIN-2-YL)HYDRAZINE

(4,6-Dimethoxy-pyrimidin-2-yl)-hydrazine

SCHEMBL1006385

DTXSID50560806

4,6-dimethoxy-2-hydrazino-pyrimidine

AKOS006331599

pyrimidine, 2-hydrazinyl-4,6-dimethoxy-

DB-127772

F8885-0900

Microorganism:

IUPAC name

(4,6-dimethoxypyrimidin-2-yl)hydrazine

SMILES

COC1=CC(=NC(=N1)NN)OC

Inchi

InChI=1S/C6H10N4O2/c1-11-4-3-5(12-2)9-6(8-4)10-7/h3H,7H2,1-2H3,(H,8,9,10)

Formula

C₆H₁₀N₄O₂

PubChem ID

14479074

Molweight

170.17

LogP

0.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds ethers heterocyclic compounds hydrazines nitrogen compounds pyrimidines

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
	Aspergillus Niger			Kate et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
	Aspergillus Niger	inoculated potato samples	GC-MS	no

Ethyl 2-methylsulfanyl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate

Compound Details

Synonymous names

924858-71-9

ethyl 2-(methylsulfanyl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate

Ethyl 2-(methylthio)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate

ethyl 2-(methylthio)-7-oxo-7{H}-[1,3,4]thiadiazolo[3,2-{a}]pyrimidine-5-carboxylate

HXKDGSVFPCYNPX-UHFFFAOYSA-N

STK691805

AKOS005603927

CS-0325833

ethyl 2-methylsulfanyl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate

7H-[1,3,4]Thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid, 2-(methylthio)-7-oxo-, ethyl ester

Microorganism:

IUPAC name

ethyl 2-methylsulfanyl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate

SMILES

CCOC(=O)C1=CC(=O)N=C2N1N=C(S2)SC

Inchi

InChI=1S/C9H9N3O3S2/c1-3-15-7(14)5-4-6(13)10-8-12(5)11-9(16-2)17-8/h4H,3H2,1-2H3

Formula

C₉H₉N₃O₃S₂

PubChem ID

16765274

Molweight

271.3

LogP

1.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

amides esters heterocyclic compounds nitrogen compounds pyrimidines sulfur compounds thioethers

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
	Aspergillus Niger			Kate et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
	Aspergillus Niger	inoculated potato samples	GC-MS	no

2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbaldehyde

Compound Details

Synonymous names

2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbaldehyde

FEIBMDKSMAMMDB-UHFFFAOYSA-N

STK662127

AKOS000284003

Microorganism:

IUPAC name

2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbaldehyde

SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC=C(C=N2)C=O

Inchi

InChI=1S/C14H14N2O4/c1-18-11-4-10(5-12(19-2)13(11)20-3)14-15-6-9(8-17)7-16-14/h4-8H,1-3H3

Formula

C₁₄H₁₄N₂O₄

PubChem ID

17606360

Molweight

274.27

LogP

1.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aldehydes aromatic compounds benzenoids ethers heterocyclic compounds nitrogen compounds pyrimidines

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
	Aspergillus Flavus			Kate et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
	Aspergillus Flavus	inoculated potato samples	GC-MS	no

2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one

Compound Details

Synonymous names

8-Azahypoxanthine

2683-90-1

Azahypoxanthine

3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL

3,6-Dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 1,4-dihydro-

AE 200

7-Hydroxy-1,2,3,4,6-pentaazaindene

7-Hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine

7-Hydroxy-v-triazolo(d)pyrimidine

1H-1,2,3-Triazolo(4,5-d)pyrimidin-7-ol

v-Triazolo(4,5-d)pyrimidin-7-ol

NSC 22709

1H-v-Triazolo(4,5-d)pyrimidin-7-ol

2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one

MFCD00005804

3H-[1,2,3]Triazolo[4,5-d]pyrimidin-7(6H)-one

7H-v-Triazolo(4,5-d)pyrimidin-7-one, 1,6-dihydro-

7-Hydroxy-v-triazolo[d]pyrimidine

7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 3,6-dihydro-

v-Triazolo[4,5-d]pyrimidin-7-ol

1H-v-Triazolo[4,5-d]pyrimidin-7-ol

10555-30-3

7H-1,2,3-Triazolo(4,5-d)pyrimidin-7-one, 1,4-dihydro-

7H-1,2,3-Triazolo(4,5-d)pyrimidin-7-one, 3,6-dihydro-

8-azaHx

EINECS 220-244-3

1H-[1,2,3]Triazolo[4,5-d]pyrimidin-7(4H)-one

744991-61-5

AI3-50259

CHEMBL219416

SCHEMBL1230976

DTXSID1062590

SCHEMBL14094281

CHEBI:136532

7H-v-Triazolo[4, 1,6-dihydro-

ALBB-023427

NSC22709

7-Hydroxy-1,3,4,6-pentaazaindene

GEO-00241

MFCD08692088

NSC-22709

STL514216

STL573034

AKOS003272028

AKOS005206808

AKOS015854536

AKOS028109374

AKOS037491874

HY-W070294

NCGC00188261-01

NCI60_001853

SY019936

TS-00032

1H-1,3-Triazolo[4,5-d]pyrimidin-7-ol

DB-047033

DB-273197

2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one

3,6-dihydrotriazolo[4,5-d]pyrimidin-7-one

A0555

CS-0081731

NS00028206

1H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

7-hydroxy-1,2,3-triazolo[4,5-d]pyrimidine

EN300-235705

T70692

7-hydroxy-3h-1,2,3-triazolo[4,5-d]pyrimidine

2H,6H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

A877122

1H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one

W-200265

1,2,3-Triazolo(5',4'-4,5)pyrimidine, 6-hydroxy-

3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

3,6-Dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

F2124-0964

F2147-0425

1,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

7H-1,3-Triazolo[4,5-d]pyrimidin-7-one, 1,4-dihydro-

1,4-Dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one #

7H-1,2,3-TRIAZOLO[4,5-D]PYRIMIDIN-7-ONE, 2,3-DIHYDRO-

Microorganism:

Yes

IUPAC name

2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one

SMILES

C1=NC2=NNN=C2C(=O)N1

Inchi

InChI=1S/C4H3N5O/c10-4-2-3(5-1-6-4)8-9-7-2/h1H,(H2,5,6,7,8,9,10)

Formula

C₄H₃N₅O

PubChem ID

135410720

Molweight

137.1

LogP

-1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

heterocyclic compounds nitrogen compounds pyrimidines triazoles

CHEBI-ID

136532

Supernatural-ID

SN0263026

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
	Aspergillus Flavus			Kate et al. 2023
	Pectobacterium Carotovorum			Kate et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
	Aspergillus Flavus	inoculated potato samples	GC-MS	no
	Pectobacterium Carotovorum	inoculated potato samples	GC-MS	no

Results for: chemical Classification: pyrimidines

[1,2,4]triazolo[4,3-a]pyrimidine

Compound Details

mVOC Specific Details

1-cyclohexyl-6-hydroxy-5-(2-piperazin-1-ylethyliminomethyl)pyrimidine-2,4-dione

Compound Details

mVOC Specific Details

2-phenylpyrimidine

Compound Details

mVOC Specific Details

6-(methylamino)-1H-pyrimidin-2-one

Compound Details

mVOC Specific Details

2-amino-4-hydroxy-1H-pyrimidin-6-one

Compound Details

mVOC Specific Details

(2,4,6-triaminopyrimidin-5-yl) Hydrogen Sulfate

Compound Details

mVOC Specific Details

Imidazo[1,2-a]pyrimidine

Compound Details

mVOC Specific Details

1,3,6-trimethylpyrimidine-2,4-dione

Compound Details

mVOC Specific Details

N-(4,6-diaminopyrimidin-5-yl)formamide

Compound Details

mVOC Specific Details

5-chloro-4,6-bis(dichloromethyl)pyrimidin-2-amine

Compound Details

mVOC Specific Details

2-[4-(4-heptylphenyl)phenyl]-5-hexylpyrimidine

Compound Details

mVOC Specific Details

(4,6-dimethoxypyrimidin-2-yl)hydrazine

Compound Details

mVOC Specific Details

Ethyl 2-methylsulfanyl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate

Compound Details

mVOC Specific Details

2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbaldehyde

Compound Details

mVOC Specific Details

2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one

Compound Details

mVOC Specific Details

Results for:
chemical Classification: pyrimidines