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

C17H12F4N4O — CID 2150295

IUPACN-(4-fluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H12F4N4O/c1-10-15(16(26)22-13-7-5-12(18)6-8-13)23-24-25(10)14-4-2-3-11(9-14)17(19,20)21/h2-9H,1H3,(H,22,26)
InChIKeyISFFWUZGGGBRGL-UHFFFAOYSA-N
MW364.30 g/mol
LogP3.99
Rot. Bonds3

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

N-(4-fluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 2150295) has the molecular formula C17H12F4N4O and a molecular weight of 364.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID2150295
Molecular FormulaC17H12F4N4O
Molecular Weight364.30 g/mol
Exact Mass364.09
IUPAC NameN-(4-fluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H12F4N4O/c1-10-15(16(26)22-13-7-5-12(18)6-8-13)23-24-25(10)14-4-2-3-11(9-14)17(19,20)21/h2-9H,1H3,(H,22,26)
InChIKeyISFFWUZGGGBRGL-UHFFFAOYSA-N
XLogP3.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 2150295) is N-(4-fluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-fluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is ISFFWUZGGGBRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N4O/c1-10-15(16(26)22-13-7-5-12(18)6-8-13)23-24-25(10)14-4-2-3-11(9-14)17(19,20)21/h2-9H,1H3,(H,22,26).
What are the key properties of N-(4-fluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
N-(4-fluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 364.30 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 2150295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).