imidazo[1,2-b]pyridazine

• ChemBase ID: 64544
• Molecular Formular: C6H5N3
• Molecular Mass: 119.124
• Monoisotopic Mass: 119.04834718
• SMILES: n12c(ncc2)cccn1
• Canonical SMILES: c1cnn2c(c1)ncc2
• InChI: InChI=1S/C6H5N3/c1-2-6-7-4-5-9(6)8-3-1/h1-5H
• InChIKey: VTVRXITWWZGKHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-b]pyridazine
• IUPAC Traditional name: imidazo[1,2-b]pyridazine
• Synonyms: Imidazo[1,2-b]pyridazine

Database IDs

• CAS Number: 766-55-2
• MDL Number: MFCD07782103
• PubChem SID: 162030283
• PubChem CID: 136599

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.64952004
• LogD (pH = 7.4): 0.65292895
• Log P: 0.65297264
• Molar Refractivity: 43.7736 cm^3
• Polarizability: 12.391158 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%