2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

C11H9F3N4O — CID 110691495

IUPAC2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H9F3N4O/c1-18-15-6-9(17-18)10(19)16-8-5-3-2-4-7(8)11(12,13)14/h2-6H,1H3,(H,16,19)
InChIKeyQGKZYPNPLDOHNO-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.09
Rot. Bonds2

About 2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 110691495) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID110691495
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H9F3N4O/c1-18-15-6-9(17-18)10(19)16-8-5-3-2-4-7(8)11(12,13)14/h2-6H,1H3,(H,16,19)
InChIKeyQGKZYPNPLDOHNO-UHFFFAOYSA-N
XLogP2.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[2-(trifluoromethyl)phenyl]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

1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42161810
1-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrazole-5-carboxylic acid
CID 19496083
5-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 104642157
1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299441
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297
1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19579044
2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide
CID 110691520
6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 110860737
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 90509411
2-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109302140
3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 18075195
1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide
CID 110692630

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 110691495) is 2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is Cn1ncc(C(=O)Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is QGKZYPNPLDOHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c1-18-15-6-9(17-18)10(19)16-8-5-3-2-4-7(8)11(12,13)14/h2-6H,1H3,(H,16,19).
What are the key properties of 2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 270.21 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 110691495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).