N,1-diphenyl-1,2,4-triazole-3-carboxamide

C15H12N4O — CID 2987721

IUPACN,1-diphenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C15H12N4O/c20-15(17-12-7-3-1-4-8-12)14-16-11-19(18-14)13-9-5-2-6-10-13/h1-11H,(H,17,20)
InChIKeyPJCFEZCEFKTLND-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.52
Rot. Bonds3

About N,1-diphenyl-1,2,4-triazole-3-carboxamide

N,1-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 2987721) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is N,1-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN,1-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID2987721
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC NameN,1-diphenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C15H12N4O/c20-15(17-12-7-3-1-4-8-12)14-16-11-19(18-14)13-9-5-2-6-10-13/h1-11H,(H,17,20)
InChIKeyPJCFEZCEFKTLND-UHFFFAOYSA-N
XLogP2.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,1-diphenyl-1,2,4-triazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,1-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N,1-diphenyl-1,2,4-triazole-3-carboxamide (CID 2987721) is N,1-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N,1-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N,1-diphenyl-1,2,4-triazole-3-carboxamide is O=C(Nc1ccccc1)c1ncn(-c2ccccc2)n1.
What is the InChIKey of N,1-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is PJCFEZCEFKTLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c20-15(17-12-7-3-1-4-8-12)14-16-11-19(18-14)13-9-5-2-6-10-13/h1-11H,(H,17,20).
What are the key properties of N,1-diphenyl-1,2,4-triazole-3-carboxamide?
N,1-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 2987721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).