5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

C17H13F3N4O — CID 15944104

IUPAC5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1-c1ccccc1
InChIInChI=1S/C17H13F3N4O/c1-11-15(22-23-24(11)14-8-3-2-4-9-14)16(25)21-13-7-5-6-12(10-13)17(18,19)20/h2-10H,1H3,(H,21,25)
InChIKeyVCUHRLFTSWNQSN-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.85
Rot. Bonds3

About 5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 15944104) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID15944104
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1-c1ccccc1
InChIInChI=1S/C17H13F3N4O/c1-11-15(22-23-24(11)14-8-3-2-4-9-14)16(25)21-13-7-5-6-12(10-13)17(18,19)20/h2-10H,1H3,(H,21,25)
InChIKeyVCUHRLFTSWNQSN-UHFFFAOYSA-N
XLogP3.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16648432
1-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 2144863
5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262208
5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide
CID 24825148
N-(4-ethoxyphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 7184521
N-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane
CID 169248286
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
5-methyl-1-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)phenyl]triazole-4-carboxamide
CID 71547193
1-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 53335473
N-[3-[(1S)-1-hydroxyethyl]phenyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 27245369
1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 112821981
1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide
CID 55599112

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 15944104) is 5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is VCUHRLFTSWNQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c1-11-15(22-23-24(11)14-8-3-2-4-9-14)16(25)21-13-7-5-6-12(10-13)17(18,19)20/h2-10H,1H3,(H,21,25).
What are the key properties of 5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 346.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 15944104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).