5-oxo-N,1-diphenyl-4H-1,2,4-triazole-3-carboxamide

C15H12N4O2 — CID 135692647

IUPAC5-oxo-N,1-diphenyl-4H-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C15H12N4O2/c20-14(16-11-7-3-1-4-8-11)13-17-15(21)19(18-13)12-9-5-2-6-10-12/h1-10H,(H,16,20)(H,17,18,21)
InChIKeyAFSTXOFGJISYRS-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.81
Rot. Bonds3

About 5-oxo-N,1-diphenyl-4H-1,2,4-triazole-3-carboxamide

5-oxo-N,1-diphenyl-4H-1,2,4-triazole-3-carboxamide (PubChem CID 135692647) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 5-oxo-N,1-diphenyl-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N,1-diphenyl-4H-1,2,4-triazole-3-carboxamide
PubChem CID135692647
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name5-oxo-N,1-diphenyl-4H-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C15H12N4O2/c20-14(16-11-7-3-1-4-8-11)13-17-15(21)19(18-13)12-9-5-2-6-10-12/h1-10H,(H,16,20)(H,17,18,21)
InChIKeyAFSTXOFGJISYRS-UHFFFAOYSA-N
XLogP1.81
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-phenyl-4H-1,2,4-triazole-3-carboxamide
CID 136734247
2-(5-oxo-1-phenyl-4H-1,2,4-triazole-3-carbonyl)propanedinitrile
CID 135604854
6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide
CID 39954188
5-methyl-2-phenyl-4H-1,2,4-triazol-3-one;phenylhydrazine
CID 159713443
5-bromo-2-phenyl-4H-1,2,4-triazol-3-one
CID 165346620
N,1-diphenyl-4,6-bis(sulfanylidene)-7H-pyrazolo[5,4-d]pyrimidine-3-carboxamide
CID 135747033
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
N-(4-methoxyphenyl)-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849862
5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide
CID 163894427
5-methyl-N-phenyl-1H-imidazole-2-carboxamide
CID 126500296
N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31853823
4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide
CID 46149662

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N,1-diphenyl-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-oxo-N,1-diphenyl-4H-1,2,4-triazole-3-carboxamide (CID 135692647) is 5-oxo-N,1-diphenyl-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-oxo-N,1-diphenyl-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-oxo-N,1-diphenyl-4H-1,2,4-triazole-3-carboxamide is O=C(Nc1ccccc1)c1nn(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 5-oxo-N,1-diphenyl-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is AFSTXOFGJISYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-14(16-11-7-3-1-4-8-11)13-17-15(21)19(18-13)12-9-5-2-6-10-12/h1-10H,(H,16,20)(H,17,18,21).
What are the key properties of 5-oxo-N,1-diphenyl-4H-1,2,4-triazole-3-carboxamide?
5-oxo-N,1-diphenyl-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N,1-diphenyl-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 135692647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).