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

C13H11ClN6O — CID 85472396

IUPAC1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-chlorophenyl]pyridin-2-one
SMILESNc1nc(Nc2ccc(-n3ccccc3=O)c(Cl)c2)n[nH]1
InChIInChI=1S/C13H11ClN6O/c14-9-7-8(16-13-17-12(15)18-19-13)4-5-10(9)20-6-2-1-3-11(20)21/h1-7H,(H4,15,16,17,18,19)
InChIKeyAYWOHARGWPLPMB-UHFFFAOYSA-N
MW302.73 g/mol
LogP1.93
Rot. Bonds3

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

1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-chlorophenyl]pyridin-2-one (PubChem CID 85472396) has the molecular formula C13H11ClN6O and a molecular weight of 302.73 g/mol. Its IUPAC name is 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-chlorophenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-chlorophenyl]pyridin-2-one
PubChem CID85472396
Molecular FormulaC13H11ClN6O
Molecular Weight302.73 g/mol
Exact Mass302.07
IUPAC Name1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-chlorophenyl]pyridin-2-one
SMILESNc1nc(Nc2ccc(-n3ccccc3=O)c(Cl)c2)n[nH]1
InChIInChI=1S/C13H11ClN6O/c14-9-7-8(16-13-17-12(15)18-19-13)4-5-10(9)20-6-2-1-3-11(20)21/h1-7H,(H4,15,16,17,18,19)
InChIKeyAYWOHARGWPLPMB-UHFFFAOYSA-N
XLogP1.93
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{4-[5-(3,5-Dichloro-phenylamino)-2H-[1,2,4]triazol-3-ylamino]-piperidin-1-yl}-ethanone
CID 78318174
1-[5-(4-chloroanilino)-1H-1,2,4-triazol-3-yl]-3-propylurea
CID 2747535
1-[4-(5-Amino-1H-[1,2,4]triazol-3-ylamino)-2-chloro-phenyl]-3-methyl-urea
CID 72714794
3-N-(4-anilino-3-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine
CID 77105382
5-[4-(5-Amino-1H-[1,2,4]triazol-3-ylamino)-2,6-dichloro-phenyl]-1H-pyridin-2-one
CID 85471986
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)-2,6-dichloro-phenyl]-1H-pyridin-2-one
CID 85472397
5-N-(2-chlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine
CID 89506507
1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-(4-chlorophenyl)urea
CID 118165444
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
1-[4-(1H-1,2,4-triazol-5-ylamino)phenyl]pyridin-2-one
CID 129044144

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-chlorophenyl]pyridin-2-one?
The IUPAC name of 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-chlorophenyl]pyridin-2-one (CID 85472396) is 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-chlorophenyl]pyridin-2-one.
What is the SMILES notation for 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-chlorophenyl]pyridin-2-one?
The canonical SMILES for 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-chlorophenyl]pyridin-2-one is Nc1nc(Nc2ccc(-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-chlorophenyl]pyridin-2-one?
The InChIKey is AYWOHARGWPLPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6O/c14-9-7-8(16-13-17-12(15)18-19-13)4-5-10(9)20-6-2-1-3-11(20)21/h1-7H,(H4,15,16,17,18,19).
What are the key properties of 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-chlorophenyl]pyridin-2-one?
1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-chlorophenyl]pyridin-2-one has a molecular weight of 302.73 g/mol, XLogP of 1.93, 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-chlorophenyl]pyridin-2-one is sourced from PubChem (CID 85472396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).