6,8-diphenyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C19H12F3N3 — CID 155932716

IUPAC6,8-diphenyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1nnc2c(-c3ccccc3)cc(-c3ccccc3)cn12
InChIInChI=1S/C19H12F3N3/c20-19(21,22)18-24-23-17-16(14-9-5-2-6-10-14)11-15(12-25(17)18)13-7-3-1-4-8-13/h1-12H
InChIKeyPIYYUVKOYRDXTL-UHFFFAOYSA-N
MW339.32 g/mol
LogP5.08
Rot. Bonds2

About 6,8-diphenyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

6,8-diphenyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 155932716) has the molecular formula C19H12F3N3 and a molecular weight of 339.32 g/mol. Its IUPAC name is 6,8-diphenyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6,8-diphenyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID155932716
Molecular FormulaC19H12F3N3
Molecular Weight339.32 g/mol
Exact Mass339.10
IUPAC Name6,8-diphenyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1nnc2c(-c3ccccc3)cc(-c3ccccc3)cn12
InChIInChI=1S/C19H12F3N3/c20-19(21,22)18-24-23-17-16(14-9-5-2-6-10-14)11-15(12-25(17)18)13-7-3-1-4-8-13/h1-12H
InChIKeyPIYYUVKOYRDXTL-UHFFFAOYSA-N
XLogP5.08
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.32
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-diphenyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6,8-diphenyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 155932716) is 6,8-diphenyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6,8-diphenyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6,8-diphenyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1nnc2c(-c3ccccc3)cc(-c3ccccc3)cn12.
What is the InChIKey of 6,8-diphenyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is PIYYUVKOYRDXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3/c20-19(21,22)18-24-23-17-16(14-9-5-2-6-10-14)11-15(12-25(17)18)13-7-3-1-4-8-13/h1-12H.
What are the key properties of 6,8-diphenyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
6,8-diphenyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 339.32 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-diphenyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 155932716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).