2-[[4-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C14H11F3N4O — CID 117257744

IUPAC2-[[4-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESNc1ccc2nc(COc3ccc(C(F)(F)F)cc3)nn2c1
InChIInChI=1S/C14H11F3N4O/c15-14(16,17)9-1-4-11(5-2-9)22-8-12-19-13-6-3-10(18)7-21(13)20-12/h1-7H,8,18H2
InChIKeyZLWKAFNMXXMTDI-UHFFFAOYSA-N
MW308.26 g/mol
LogP2.91
Rot. Bonds3

About 2-[[4-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine

2-[[4-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 117257744) has the molecular formula C14H11F3N4O and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID117257744
Molecular FormulaC14H11F3N4O
Molecular Weight308.26 g/mol
Exact Mass308.09
IUPAC Name2-[[4-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESNc1ccc2nc(COc3ccc(C(F)(F)F)cc3)nn2c1
InChIInChI=1S/C14H11F3N4O/c15-14(16,17)9-1-4-11(5-2-9)22-8-12-19-13-6-3-10(18)7-21(13)20-12/h1-7H,8,18H2
InChIKeyZLWKAFNMXXMTDI-UHFFFAOYSA-N
XLogP2.91
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of 2-[[4-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 117257744) is 2-[[4-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine is Nc1ccc2nc(COc3ccc(C(F)(F)F)cc3)nn2c1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is ZLWKAFNMXXMTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O/c15-14(16,17)9-1-4-11(5-2-9)22-8-12-19-13-6-3-10(18)7-21(13)20-12/h1-7H,8,18H2.
What are the key properties of 2-[[4-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
2-[[4-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 308.26 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 117257744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).