1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide

C16H11F3N4O — CID 2991256

IUPAC1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C16H11F3N4O/c17-16(18,19)12-8-4-5-9-13(12)21-15(24)14-20-10-23(22-14)11-6-2-1-3-7-11/h1-10H,(H,21,24)
InChIKeySQADADYWXCPTOC-UHFFFAOYSA-N
MW332.29 g/mol
LogP3.54
Rot. Bonds3

About 1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide

1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide (PubChem CID 2991256) has the molecular formula C16H11F3N4O and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide
PubChem CID2991256
Molecular FormulaC16H11F3N4O
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC Name1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C16H11F3N4O/c17-16(18,19)12-8-4-5-9-13(12)21-15(24)14-20-10-23(22-14)11-6-2-1-3-7-11/h1-10H,(H,21,24)
InChIKeySQADADYWXCPTOC-UHFFFAOYSA-N
XLogP3.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-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

1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19281225
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
1-(3,4-difluorophenyl)-N-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 91885801
4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 610570
2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 110691495
2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 110860798
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19581546
5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109198553
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42161810
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide (CID 2991256) is 1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1ncn(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is SQADADYWXCPTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O/c17-16(18,19)12-8-4-5-9-13(12)21-15(24)14-20-10-23(22-14)11-6-2-1-3-7-11/h1-10H,(H,21,24).
What are the key properties of 1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide?
1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 332.29 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 2991256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).