N-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C17H13F3N4O2 — CID 134790947

IUPACN-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NC1CC1)c1ccc2nnc(-c3cccc(OC(F)(F)F)c3)n2c1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)26-13-3-1-2-10(8-13)15-23-22-14-7-4-11(9-24(14)15)16(25)21-12-5-6-12/h1-4,7-9,12H,5-6H2,(H,21,25)
InChIKeyLFWGOZMZJLXLKB-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.19
Rot. Bonds4

About N-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134790947) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134790947
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC NameN-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NC1CC1)c1ccc2nnc(-c3cccc(OC(F)(F)F)c3)n2c1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)26-13-3-1-2-10(8-13)15-23-22-14-7-4-11(9-24(14)15)16(25)21-12-5-6-12/h1-4,7-9,12H,5-6H2,(H,21,25)
InChIKeyLFWGOZMZJLXLKB-UHFFFAOYSA-N
XLogP3.19
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134790947) is N-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NC1CC1)c1ccc2nnc(-c3cccc(OC(F)(F)F)c3)n2c1.
What is the InChIKey of N-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is LFWGOZMZJLXLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c18-17(19,20)26-13-3-1-2-10(8-13)15-23-22-14-7-4-11(9-24(14)15)16(25)21-12-5-6-12/h1-4,7-9,12H,5-6H2,(H,21,25).
What are the key properties of N-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134790947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).