1H-[1,2,3]triazolo[4,5-c]pyridine

• ChemBase ID: 276133
• Molecular Formular: C5H4N4
• Molecular Mass: 120.11206
• Monoisotopic Mass: 120.04359615
• SMILES: n1nc2c([nH]1)ccnc2
• Canonical SMILES: c1ncc2c(c1)[nH]nn2
• InChI: InChI=1S/C5H4N4/c1-2-6-3-5-4(1)7-9-8-5/h1-3H,(H,7,8,9)
• InChIKey: ZSYMMINAALNVSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-[1,2,3]triazolo[4,5-c]pyridine
• IUPAC Traditional name: 1H-[1,2,3]triazolo[4,5-c]pyridine
• Synonyms: 1H-[1,2,3]triazolo[4,5-c]pyridine

Database IDs

• MDL Number: MFCD00961738
• PubChem SID: 164332043
• PubChem CID: 136084

CALCULATED PROPERTIES

• Acid pKa: 7.524924
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.035092138
• LogD (pH = 7.4): -0.15234599
• Log P: 0.083609745
• Molar Refractivity: 31.9012 cm^3
• Polarizability: 12.877227 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 240 - 242°C
• Hydrophobicity(logP): 0.1

Product Information

• Purity: 95%