5-methyl-N-(pyridin-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

C17H14F3N5O — CID 37266142

IUPAC5-methyl-N-(pyridin-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccccn2)nnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3N5O/c1-11-15(16(26)22-10-13-6-2-3-8-21-13)23-24-25(11)14-7-4-5-12(9-14)17(18,19)20/h2-9H,10H2,1H3,(H,22,26)
InChIKeyAGLMPIZSPHSUDE-UHFFFAOYSA-N
MW361.33 g/mol
LogP2.92
Rot. Bonds4

About 5-methyl-N-(pyridin-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

5-methyl-N-(pyridin-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 37266142) has the molecular formula C17H14F3N5O and a molecular weight of 361.33 g/mol. Its IUPAC name is 5-methyl-N-(pyridin-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(pyridin-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID37266142
Molecular FormulaC17H14F3N5O
Molecular Weight361.33 g/mol
Exact Mass361.12
IUPAC Name5-methyl-N-(pyridin-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccccn2)nnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3N5O/c1-11-15(16(26)22-10-13-6-2-3-8-21-13)23-24-25(11)14-7-4-5-12(9-14)17(18,19)20/h2-9H,10H2,1H3,(H,22,26)
InChIKeyAGLMPIZSPHSUDE-UHFFFAOYSA-N
XLogP2.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(pyridin-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(pyridin-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 37266142) is 5-methyl-N-(pyridin-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(pyridin-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(pyridin-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is Cc1c(C(=O)NCc2ccccn2)nnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methyl-N-(pyridin-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is AGLMPIZSPHSUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O/c1-11-15(16(26)22-10-13-6-2-3-8-21-13)23-24-25(11)14-7-4-5-12(9-14)17(18,19)20/h2-9H,10H2,1H3,(H,22,26).
What are the key properties of 5-methyl-N-(pyridin-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
5-methyl-N-(pyridin-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 361.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(pyridin-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 37266142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).