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

C15H12N4O — CID 976233

IUPAC2-phenyl-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C15H12N4O/c20-15(18-19-10-16-17-11-19)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,18,20)
InChIKeyQVTIZIRIKSBJQX-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.33
Rot. Bonds3

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

2-phenyl-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 976233) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-phenyl-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-phenyl-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID976233
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name2-phenyl-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C15H12N4O/c20-15(18-19-10-16-17-11-19)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,18,20)
InChIKeyQVTIZIRIKSBJQX-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814664
N-(1,2,4)Triazol-4-YL-benzamide
CID 676579
4-tert-butyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814667
4-Chloro-N-[1,2,4]triazol-4-yl-benzamide
CID 814676
2-Methyl-N-[1,2,4]triazol-4-yl-benzamide
CID 2247187
4-cyano-N-(1,2,4-triazol-4-yl)benzamide
CID 2409153
4-fluoro-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814674
2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 576827
2-chloro-N-(1,2,4-triazol-4-yl)benzamide
CID 769047
2-Fluoro-N-[1,2,4]triazol-4-yl-benzamide
CID 814670
3,5-dimethyl-N-(1,2,4-triazol-4-yl)benzamide
CID 912545
2,2-diphenyl-N-(1,2,4-triazol-4-yl)acetamide
CID 660644

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-phenyl-N-(1,2,4-triazol-4-yl)benzamide (CID 976233) is 2-phenyl-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-phenyl-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-phenyl-N-(1,2,4-triazol-4-yl)benzamide is O=C(Nn1cnnc1)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is QVTIZIRIKSBJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c20-15(18-19-10-16-17-11-19)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,18,20).
What are the key properties of 2-phenyl-N-(1,2,4-triazol-4-yl)benzamide?
2-phenyl-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 264.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 976233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).