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

C15H12N4O2 — CID 555325

IUPAC5-oxo-N,1-diphenyl-2H-triazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1n[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C15H12N4O2/c20-14(16-11-7-3-1-4-8-11)13-15(21)19(18-17-13)12-9-5-2-6-10-12/h1-10,18H,(H,16,20)
InChIKeyAABNMYGEWOGCMF-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.81
Rot. Bonds3

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

5-oxo-N,1-diphenyl-2H-triazole-4-carboxamide (PubChem CID 555325) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 5-oxo-N,1-diphenyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-oxo-N,1-diphenyl-2H-triazole-4-carboxamide
PubChem CID555325
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name5-oxo-N,1-diphenyl-2H-triazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1n[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C15H12N4O2/c20-14(16-11-7-3-1-4-8-11)13-15(21)19(18-17-13)12-9-5-2-6-10-12/h1-10,18H,(H,16,20)
InChIKeyAABNMYGEWOGCMF-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

Analyze 5-oxo-N,1-diphenyl-2H-triazole-4-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 5-oxo-N,1-diphenyl-2H-triazole-4-carboxamide?
The IUPAC name of 5-oxo-N,1-diphenyl-2H-triazole-4-carboxamide (CID 555325) is 5-oxo-N,1-diphenyl-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-oxo-N,1-diphenyl-2H-triazole-4-carboxamide?
The canonical SMILES for 5-oxo-N,1-diphenyl-2H-triazole-4-carboxamide is O=C(Nc1ccccc1)c1n[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 5-oxo-N,1-diphenyl-2H-triazole-4-carboxamide?
The InChIKey is AABNMYGEWOGCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-14(16-11-7-3-1-4-8-11)13-15(21)19(18-17-13)12-9-5-2-6-10-12/h1-10,18H,(H,16,20).
What are the key properties of 5-oxo-N,1-diphenyl-2H-triazole-4-carboxamide?
5-oxo-N,1-diphenyl-2H-triazole-4-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-2H-triazole-4-carboxamide is sourced from PubChem (CID 555325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).