imidazo[1,2-b]pyridazin-6-ol

• ChemBase ID: 63770
• Molecular Formular: C6H5N3O
• Molecular Mass: 135.1234
• Monoisotopic Mass: 135.0432618
• SMILES: c1c(nn2c(c1)ncc2)O
• Canonical SMILES: Oc1ccc2n(n1)ccn2
• InChI: InChI=1S/C6H5N3O/c10-6-2-1-5-7-3-4-9(5)8-6/h1-4H,(H,8,10)
• InChIKey: JPMJNVODBLZHLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-b]pyridazin-6-ol
• IUPAC Traditional name: imidazo[1,2-b]pyridazin-6-ol
• Synonyms: 6-Hydroxyimidazo[1,2-b]pyridazine; Imidazo[1,2-b]pyridazin-6-ol

Database IDs

• CAS Number: 57470-54-9
• MDL Number: MFCD11040161
• PubChem SID: 162029509
• PubChem CID: 15144435

CALCULATED PROPERTIES

• Acid pKa: 8.418458
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9313355
• LogD (pH = 7.4): 0.90450305
• Log P: 0.9438648
• Molar Refractivity: 46.068 cm^3
• Polarizability: 13.031629 Å^3
• Polar Surface Area: 50.42 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 96%