1-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine

C13H9F3N4 — CID 117159476

IUPAC1-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine
SMILESFC(F)(F)c1ccccc1Cn1nnc2cnccc21
InChIInChI=1S/C13H9F3N4/c14-13(15,16)10-4-2-1-3-9(10)8-20-12-5-6-17-7-11(12)18-19-20/h1-7H,8H2
InChIKeyZAKMUVNZSRQPNZ-UHFFFAOYSA-N
MW278.24 g/mol
LogP2.89
Rot. Bonds2

About 1-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine

1-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine (PubChem CID 117159476) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine
PubChem CID117159476
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name1-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine
SMILESFC(F)(F)c1ccccc1Cn1nnc2cnccc21
InChIInChI=1S/C13H9F3N4/c14-13(15,16)10-4-2-1-3-9(10)8-20-12-5-6-17-7-11(12)18-19-20/h1-7H,8H2
InChIKeyZAKMUVNZSRQPNZ-UHFFFAOYSA-N
XLogP2.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine 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 1-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine?
The IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine (CID 117159476) is 1-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine.
What is the SMILES notation for 1-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine?
The canonical SMILES for 1-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine is FC(F)(F)c1ccccc1Cn1nnc2cnccc21.
What is the InChIKey of 1-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine?
The InChIKey is ZAKMUVNZSRQPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c14-13(15,16)10-4-2-1-3-9(10)8-20-12-5-6-17-7-11(12)18-19-20/h1-7H,8H2.
What are the key properties of 1-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine?
1-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine has a molecular weight of 278.24 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine is sourced from PubChem (CID 117159476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).