5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide

C15H11ClN4O — CID 169403250

IUPAC5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C15H11ClN4O/c16-12-8-10(9-4-2-1-3-5-9)6-7-11(12)13-14(15(17)21)19-20-18-13/h1-8H,(H2,17,21)(H,18,19,20)
InChIKeyCLWUULJAEMAUIQ-UHFFFAOYSA-N
MW298.73 g/mol
LogP2.89
Rot. Bonds3

About 5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide

5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide (PubChem CID 169403250) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide
PubChem CID169403250
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C15H11ClN4O/c16-12-8-10(9-4-2-1-3-5-9)6-7-11(12)13-14(15(17)21)19-20-18-13/h1-8H,(H2,17,21)(H,18,19,20)
InChIKeyCLWUULJAEMAUIQ-UHFFFAOYSA-N
XLogP2.89
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2-chloro-4-phenylphenyl)-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

Related Compounds

5-[3-(3,4-dichlorophenyl)phenyl]-2H-triazole-4-carboxylic acid
CID 155250572
5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402878
5-(2-phenoxy-4-phenylphenyl)-2H-triazole-4-carboxylic acid
CID 174218489
5-(2-acetamido-4-phenylphenyl)-2H-triazole-4-carboxylic acid
CID 174218443
5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402846
5-(3,4-dichlorophenyl)-2H-triazole-4-carboxylic acid
CID 83656916
5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide
CID 169403301
5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxamide
CID 169403087
2-(5-carbamoyl-2H-triazol-4-yl)-3-chlorobenzoic acid
CID 169403056
5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide
CID 169402424
5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402286
5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402786

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide (CID 169403250) is 5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of 5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide?
The InChIKey is CLWUULJAEMAUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-12-8-10(9-4-2-1-3-5-9)6-7-11(12)13-14(15(17)21)19-20-18-13/h1-8H,(H2,17,21)(H,18,19,20).
What are the key properties of 5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide?
5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).