3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine

C14H7F6N3 — CID 87178572

IUPAC3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1
InChIInChI=1S/C14H7F6N3/c15-13(16,17)10-4-1-8(2-5-10)9-3-6-11-21-22-12(14(18,19)20)23(11)7-9/h1-7H
InChIKeyYGBYNGMZCPBWAZ-UHFFFAOYSA-N
MW331.22 g/mol
LogP4.43
Rot. Bonds1

About 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine

3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 87178572) has the molecular formula C14H7F6N3 and a molecular weight of 331.22 g/mol. Its IUPAC name is 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID87178572
Molecular FormulaC14H7F6N3
Molecular Weight331.22 g/mol
Exact Mass331.05
IUPAC Name3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1
InChIInChI=1S/C14H7F6N3/c15-13(16,17)10-4-1-8(2-5-10)9-3-6-11-21-22-12(14(18,19)20)23(11)7-9/h1-7H
InChIKeyYGBYNGMZCPBWAZ-UHFFFAOYSA-N
XLogP4.43
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]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 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 87178572) is 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1.
What is the InChIKey of 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is YGBYNGMZCPBWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F6N3/c15-13(16,17)10-4-1-8(2-5-10)9-3-6-11-21-22-12(14(18,19)20)23(11)7-9/h1-7H.
What are the key properties of 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 331.22 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 87178572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).