1H-imidazo[4,5-b]pyrazine

• ChemBase ID: 294037
• Molecular Formular: C5H4N4
• Molecular Mass: 120.11206
• Monoisotopic Mass: 120.04359615
• SMILES: c12nccnc1nc[nH]2
• Canonical SMILES: c1cnc2c(n1)[nH]cn2
• InChI: InChI=1S/C5H4N4/c1-2-7-5-4(6-1)8-3-9-5/h1-3H,(H,6,7,8,9)
• InChIKey: ZKAMEFMDQNTDFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-imidazo[4,5-b]pyrazine
• IUPAC Traditional name: 1H-imidazo[4,5-b]pyrazine
• Synonyms: 1H-Imidazo[4,5-b]pyrazine

Database IDs

• CAS Number: 273-94-9
• MDL Number: MFCD08669465
• PubChem SID: 180679568
• PubChem CID: 6059187

CALCULATED PROPERTIES

• Acid pKa: 10.268279
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.48339164
• LogD (pH = 7.4): -0.4839023
• Log P: -0.48337424
• Molar Refractivity: 32.1801 cm^3
• Polarizability: 11.5664625 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%