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

C20H19F3N4O2 — CID 134797455

IUPACN-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc2nnc(-c3ccc(OC(F)(F)F)cc3)n2c1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)29-16-9-6-13(7-10-16)18-26-25-17-11-8-14(12-27(17)18)19(28)24-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,24,28)
InChIKeyWPTKMERLSBFRKW-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.36
Rot. Bonds4

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

N-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134797455) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134797455
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC NameN-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc2nnc(-c3ccc(OC(F)(F)F)cc3)n2c1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)29-16-9-6-13(7-10-16)18-26-25-17-11-8-14(12-27(17)18)19(28)24-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,24,28)
InChIKeyWPTKMERLSBFRKW-UHFFFAOYSA-N
XLogP4.36
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134797455) is N-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NC1CCCCC1)c1ccc2nnc(-c3ccc(OC(F)(F)F)cc3)n2c1.
What is the InChIKey of N-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is WPTKMERLSBFRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-20(22,23)29-16-9-6-13(7-10-16)18-26-25-17-11-8-14(12-27(17)18)19(28)24-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,24,28).
What are the key properties of N-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134797455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).