3-phenyl-[1,2,3]triazolo[1,5-a]pyridine

• ChemBase ID: 64733
• Molecular Formular: C12H9N3
• Molecular Mass: 195.21996
• Monoisotopic Mass: 195.0796473
• SMILES: n1c(c2n(n1)cccc2)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1nnn2c1cccc2
• InChI: InChI=1S/C12H9N3/c1-2-6-10(7-3-1)12-11-8-4-5-9-15(11)14-13-12/h1-9H
• InChIKey: CNTOUGGARXCZSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenyl-[1,2,3]triazolo[1,5-a]pyridine
• IUPAC Traditional name: 3-phenyl-[1,2,3]triazolo[1,5-a]pyridine
• Synonyms: 3-Phenyl[1,2,3]triazolo[1,5-a]pyridine; 3-Phenyl-1,2,3-triazolo(1,5-a)pyridine

Database IDs

• CAS Number: 832-81-5
• MDL Number: MFCD08062414
• PubChem SID: 162030472
• PubChem CID: 348172

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1553817
• LogD (pH = 7.4): 3.1553829
• Log P: 3.1553829
• Molar Refractivity: 69.0991 cm^3
• Polarizability: 24.12138 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%