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

C16H14N4O — CID 17429448

IUPAC4-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2n[nH]c(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H14N4O/c1-11-7-9-13(10-8-11)15(21)18-16-17-14(19-20-16)12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,18,19,20,21)
InChIKeyMBOGPSXWWGOALR-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.03
Rot. Bonds3

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

4-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 17429448) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID17429448
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name4-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2n[nH]c(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H14N4O/c1-11-7-9-13(10-8-11)15(21)18-16-17-14(19-20-16)12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,18,19,20,21)
InChIKeyMBOGPSXWWGOALR-UHFFFAOYSA-N
XLogP3.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-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 4-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 4-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide (CID 17429448) is 4-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 4-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide is Cc1ccc(C(=O)Nc2n[nH]c(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is MBOGPSXWWGOALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-7-9-13(10-8-11)15(21)18-16-17-14(19-20-16)12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,18,19,20,21).
What are the key properties of 4-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide?
4-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 278.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 17429448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).