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

C18H17F3N4O2 — CID 134795928

IUPACN-(2-methylpropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)CNC(=O)c1ccc2nnc(-c3ccc(OC(F)(F)F)cc3)n2c1
InChIInChI=1S/C18H17F3N4O2/c1-11(2)9-22-17(26)13-5-8-15-23-24-16(25(15)10-13)12-3-6-14(7-4-12)27-18(19,20)21/h3-8,10-11H,9H2,1-2H3,(H,22,26)
InChIKeyWPDUPYGVNNPLCB-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.68
Rot. Bonds5

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

N-(2-methylpropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134795928) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134795928
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC NameN-(2-methylpropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)CNC(=O)c1ccc2nnc(-c3ccc(OC(F)(F)F)cc3)n2c1
InChIInChI=1S/C18H17F3N4O2/c1-11(2)9-22-17(26)13-5-8-15-23-24-16(25(15)10-13)12-3-6-14(7-4-12)27-18(19,20)21/h3-8,10-11H,9H2,1-2H3,(H,22,26)
InChIKeyWPDUPYGVNNPLCB-UHFFFAOYSA-N
XLogP3.68
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(2-methylpropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134795928) is N-(2-methylpropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC(C)CNC(=O)c1ccc2nnc(-c3ccc(OC(F)(F)F)cc3)n2c1.
What is the InChIKey of N-(2-methylpropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is WPDUPYGVNNPLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-11(2)9-22-17(26)13-5-8-15-23-24-16(25(15)10-13)12-3-6-14(7-4-12)27-18(19,20)21/h3-8,10-11H,9H2,1-2H3,(H,22,26).
What are the key properties of N-(2-methylpropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(2-methylpropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134795928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).