1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]pyridin-2-one

C13H10Cl2N6O — CID 85472397

IUPAC1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]pyridin-2-one
SMILESNc1nc(Nc2cc(Cl)c(-n3ccccc3=O)c(Cl)c2)n[nH]1
InChIInChI=1S/C13H10Cl2N6O/c14-8-5-7(17-13-18-12(16)19-20-13)6-9(15)11(8)21-4-2-1-3-10(21)22/h1-6H,(H4,16,17,18,19,20)
InChIKeyQPQIHFGZTYMHQB-UHFFFAOYSA-N
MW337.17 g/mol
LogP2.59
Rot. Bonds3

About 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]pyridin-2-one

1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]pyridin-2-one (PubChem CID 85472397) has the molecular formula C13H10Cl2N6O and a molecular weight of 337.17 g/mol. Its IUPAC name is 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]pyridin-2-one
PubChem CID85472397
Molecular FormulaC13H10Cl2N6O
Molecular Weight337.17 g/mol
Exact Mass336.03
IUPAC Name1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]pyridin-2-one
SMILESNc1nc(Nc2cc(Cl)c(-n3ccccc3=O)c(Cl)c2)n[nH]1
InChIInChI=1S/C13H10Cl2N6O/c14-8-5-7(17-13-18-12(16)19-20-13)6-9(15)11(8)21-4-2-1-3-10(21)22/h1-6H,(H4,16,17,18,19,20)
InChIKeyQPQIHFGZTYMHQB-UHFFFAOYSA-N
XLogP2.59
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]pyridin-2-one with MolForge

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Related Compounds

1-{4-[5-(3,5-Dichloro-phenylamino)-2H-[1,2,4]triazol-3-ylamino]-piperidin-1-yl}-ethanone
CID 78318174
1-[4-(5-Amino-1H-[1,2,4]triazol-3-ylamino)-2-chloro-phenyl]-3-methyl-urea
CID 72714794
5-[4-(5-Amino-1H-[1,2,4]triazol-3-ylamino)-2,6-dichloro-phenyl]-1H-pyridin-2-one
CID 85471986
4-[4-(5-Amino-1H-[1,2,4]triazol-3-ylamino)-2,6-dichloro-phenyl]-1H-pyridin-2-one
CID 85471990
1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]phenyl]pyridin-2-one
CID 85472395
1-[4-(5-Amino-1H-[1,2,4]triazol-3-ylamino)-2-chloro-phenyl]-1H-pyridin-2-one
CID 85472396
1-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea
CID 118165591
5-N-(4-anilino-3-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine
CID 123548193
tert-butyl 4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]piperazine-1-carboxylate
CID 126707580
1-[4-(1H-1,2,4-triazol-5-ylamino)phenyl]pyridin-2-one
CID 129044144
3-N-(4-amino-3,5-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine
CID 129044191
4-[2,6-dichloro-4-[[3-(methylamino)-1H-1,2,4-triazol-5-yl]amino]phenyl]-1H-pyridin-2-one
CID 129044379

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]pyridin-2-one?
The IUPAC name of 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]pyridin-2-one (CID 85472397) is 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]pyridin-2-one.
What is the SMILES notation for 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]pyridin-2-one?
The canonical SMILES for 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]pyridin-2-one is Nc1nc(Nc2cc(Cl)c(-n3ccccc3=O)c(Cl)c2)n[nH]1.
What is the InChIKey of 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]pyridin-2-one?
The InChIKey is QPQIHFGZTYMHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N6O/c14-8-5-7(17-13-18-12(16)19-20-13)6-9(15)11(8)21-4-2-1-3-10(21)22/h1-6H,(H4,16,17,18,19,20).
What are the key properties of 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]pyridin-2-one?
1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]pyridin-2-one has a molecular weight of 337.17 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]pyridin-2-one is sourced from PubChem (CID 85472397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).