6-bromo-8-hydrazinylimidazo[1,2-a]pyrazine

• ChemBase ID: 285479
• Molecular Formular: C6H6BrN5
• Molecular Mass: 228.04934
• Monoisotopic Mass: 226.98065722
• SMILES: c1(nc(cn2c1ncc2)Br)NN
• Canonical SMILES: NNc1nc(Br)cn2c1ncc2
• InChI: InChI=1S/C6H6BrN5/c7-4-3-12-2-1-9-6(12)5(10-4)11-8/h1-3H,8H2,(H,10,11)
• InChIKey: LBMOONNIZAIUOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-8-hydrazinylimidazo[1,2-a]pyrazine
• IUPAC Traditional name: 6-bromo-8-hydrazinylimidazo[1,2-a]pyrazine
• Synonyms: 6-bromo-8-hydrazinylimidazo[1,2-a]pyrazine

Database IDs

• MDL Number: MFCD22056465
• PubChem SID: 180671010
• PubChem CID: 73994685

CALCULATED PROPERTIES

• Acid pKa: 16.261059
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.42351666
• LogD (pH = 7.4): 0.4944814
• Log P: 0.5022518
• Molar Refractivity: 52.2647 cm^3
• Polarizability: 17.99178 Å^3
• Polar Surface Area: 68.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.53

Product Information

• Purity: 95%