N-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)benzamide

C15H12N4O2 — CID 569302

IUPACN-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1c(-c2ccccc2)n[nH]c1=O)c1ccccc1
InChIInChI=1S/C15H12N4O2/c20-14(12-9-5-2-6-10-12)18-19-13(16-17-15(19)21)11-7-3-1-4-8-11/h1-10H,(H,17,21)(H,18,20)
InChIKeyJSYSHXQTLFSBKA-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.62
Rot. Bonds3

About N-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)benzamide

N-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)benzamide (PubChem CID 569302) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)benzamide
PubChem CID569302
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1c(-c2ccccc2)n[nH]c1=O)c1ccccc1
InChIInChI=1S/C15H12N4O2/c20-14(12-9-5-2-6-10-12)18-19-13(16-17-15(19)21)11-7-3-1-4-8-11/h1-10H,(H,17,21)(H,18,20)
InChIKeyJSYSHXQTLFSBKA-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)benzamide 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-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)benzamide (CID 569302) is N-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)benzamide is O=C(Nn1c(-c2ccccc2)n[nH]c1=O)c1ccccc1.
What is the InChIKey of N-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)benzamide?
The InChIKey is JSYSHXQTLFSBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-14(12-9-5-2-6-10-12)18-19-13(16-17-15(19)21)11-7-3-1-4-8-11/h1-10H,(H,17,21)(H,18,20).
What are the key properties of N-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)benzamide?
N-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)benzamide has a molecular weight of 280.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 569302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).