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

C15H12N4O — CID 570244

IUPACN-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C15H12N4O/c20-14(12-9-5-2-6-10-12)17-15-16-13(18-19-15)11-7-3-1-4-8-11/h1-10H,(H2,16,17,18,19,20)
InChIKeyZNIQLYYOYYLSEW-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.72
Rot. Bonds3

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

N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 570244) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID570244
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC NameN-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C15H12N4O/c20-14(12-9-5-2-6-10-12)17-15-16-13(18-19-15)11-7-3-1-4-8-11/h1-10H,(H2,16,17,18,19,20)
InChIKeyZNIQLYYOYYLSEW-UHFFFAOYSA-N
XLogP2.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea
CID 222304
1-phenyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 570287
N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 944669
N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide
CID 4247733
N-(3-phenyl-1H-1,2,4-triazol-5-yl)propanamide
CID 32460731
N-hydroxy-4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 135357811
(4-Methylphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone
CID 828564
methyl 3-benzamido-1H-1,2,4-triazole-5-carboxylate
CID 2314281
1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide
CID 5069358
4-methyl-N-(5-phenyl-4H-1,2,4-triazol-3-yl)benzamide
CID 17429448
4-chloro-N-(3-phenyl-1H-1,2,4-triazol-5-yl)benzamide
CID 17500622
N-(5-Phenyl-1H-1,2,4-triazol-3-yl)butanamide
CID 20974734

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide (CID 570244) is N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide is O=C(Nc1n[nH]c(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is ZNIQLYYOYYLSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c20-14(12-9-5-2-6-10-12)17-15-16-13(18-19-15)11-7-3-1-4-8-11/h1-10H,(H2,16,17,18,19,20).
What are the key properties of N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide?
N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 264.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 570244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).