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

C16H14F3N3 — CID 142870006

IUPAC3-(3-phenylpropyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1ccc2nnc(CCCc3ccccc3)n2c1
InChIInChI=1S/C16H14F3N3/c17-16(18,19)13-9-10-15-21-20-14(22(15)11-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2
InChIKeyWGGOWUAWECIOCY-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.92
Rot. Bonds4

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

3-(3-phenylpropyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 142870006) has the molecular formula C16H14F3N3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-(3-phenylpropyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(3-phenylpropyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID142870006
Molecular FormulaC16H14F3N3
Molecular Weight305.30 g/mol
Exact Mass305.11
IUPAC Name3-(3-phenylpropyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1ccc2nnc(CCCc3ccccc3)n2c1
InChIInChI=1S/C16H14F3N3/c17-16(18,19)13-9-10-15-21-20-14(22(15)11-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2
InChIKeyWGGOWUAWECIOCY-UHFFFAOYSA-N
XLogP3.92
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(3-phenylpropyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 142870006) is 3-(3-phenylpropyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(3-phenylpropyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(3-phenylpropyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1ccc2nnc(CCCc3ccccc3)n2c1.
What is the InChIKey of 3-(3-phenylpropyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is WGGOWUAWECIOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3/c17-16(18,19)13-9-10-15-21-20-14(22(15)11-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2.
What are the key properties of 3-(3-phenylpropyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(3-phenylpropyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 305.30 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 142870006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).