2-(furan-2-yl)imidazo[1,2-b]pyridazine

• ChemBase ID: 73658
• Molecular Formular: C10H7N3O
• Molecular Mass: 185.18208
• Monoisotopic Mass: 185.05891186
• SMILES: o1cccc1c1cn2ncccc2n1
• Canonical SMILES: c1coc(c1)c1nc2n(c1)nccc2
• InChI: InChI=1S/C10H7N3O/c1-4-10-12-8(7-13(10)11-5-1)9-3-2-6-14-9/h1-7H
• InChIKey: ZOWMZLMKRQUFCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)imidazo[1,2-b]pyridazine
• IUPAC Traditional name: 2-(furan-2-yl)imidazo[1,2-b]pyridazine
• Synonyms: 2-(Imidazo[1,2-b]pyridazin-2-yl)furan; 2-(Fur-2-yl)imidazo[1,2-b]pyridazine

Database IDs

• MDL Number: MFCD09832523
• PubChem SID: 162038577
• PubChem CID: 16740708

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7365841
• LogD (pH = 7.4): 1.7461712
• Log P: 1.746295
• Molar Refractivity: 60.9287 cm^3
• Polarizability: 20.216814 Å^3
• Polar Surface Area: 43.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant