3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C14H8F3N3O2 — CID 700465

IUPAC3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1ccc2nnc(-c3ccc4c(c3)OCO4)n2c1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)9-2-4-12-18-19-13(20(12)6-9)8-1-3-10-11(5-8)22-7-21-10/h1-6H,7H2
InChIKeyPGZDDGIGJSFPHT-UHFFFAOYSA-N
MW307.23 g/mol
LogP3.14
Rot. Bonds1

About 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 700465) has the molecular formula C14H8F3N3O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID700465
Molecular FormulaC14H8F3N3O2
Molecular Weight307.23 g/mol
Exact Mass307.06
IUPAC Name3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1ccc2nnc(-c3ccc4c(c3)OCO4)n2c1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)9-2-4-12-18-19-13(20(12)6-9)8-1-3-10-11(5-8)22-7-21-10/h1-6H,7H2
InChIKeyPGZDDGIGJSFPHT-UHFFFAOYSA-N
XLogP3.14
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-[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-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 700465) is 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1ccc2nnc(-c3ccc4c(c3)OCO4)n2c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is PGZDDGIGJSFPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2/c15-14(16,17)9-2-4-12-18-19-13(20(12)6-9)8-1-3-10-11(5-8)22-7-21-10/h1-6H,7H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 307.23 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 700465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).