imidazo[1,2-b]pyridazin-3-amine

• ChemBase ID: 73668
• Molecular Formular: C6H6N4
• Molecular Mass: 134.13864
• Monoisotopic Mass: 134.05924621
• SMILES: n1cccc2ncc(n12)N
• Canonical SMILES: Nc1cnc2n1nccc2
• InChI: InChI=1S/C6H6N4/c7-5-4-8-6-2-1-3-9-10(5)6/h1-4H,7H2
• InChIKey: OZKLSNMZRDYQAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-b]pyridazin-3-amine
• IUPAC Traditional name: imidazo[1,2-b]pyridazin-3-amine
• Synonyms: Imidazo[1,2-b]pyridazin-3-amine; 3-Aminoimidazo[1,2-b]pyridazine

Database IDs

• CAS Number: 166176-46-1
• MDL Number: MFCD09832520
• PubChem SID: 162038587
• PubChem CID: 10702308

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.96047854
• LogD (pH = 7.4): -0.16525504
• Log P: -0.08666232
• Molar Refractivity: 47.7273 cm^3
• Polarizability: 13.536659 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant