[1,2,3,4]tetrazolo[1,5-a]pyridine

• ChemBase ID: 80255
• Molecular Formular: C5H4N4
• Molecular Mass: 120.11206
• Monoisotopic Mass: 120.04359615
• SMILES: n12nnnc1cccc2
• Canonical SMILES: c1ccc2n(c1)nnn2
• InChI: InChI=1S/C5H4N4/c1-2-4-9-5(3-1)6-7-8-9/h1-4H
• InChIKey: BPDSGGQFORKTMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,2,3,4]tetrazolo[1,5-a]pyridine
• IUPAC Traditional name: [1,2,3,4]tetrazolo[1,5-a]pyridine
• Synonyms: [1,2,3,4]tetraazolo[1,5-a]pyridine

Database IDs

• MDL Number: MFCD00829444
• PubChem SID: 162067375
• PubChem CID: 136089

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8029325
• LogD (pH = 7.4): 0.80293256
• Log P: 0.80293256
• Molar Refractivity: 44.1508 cm^3
• Polarizability: 11.558923 Å^3
• Polar Surface Area: 43.08 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true