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

• ChemBase ID: 73660
• Molecular Formular: C10H7N3S
• Molecular Mass: 201.24768
• Monoisotopic Mass: 201.03606824
• SMILES: s1cccc1c1cn2ncccc2n1
• Canonical SMILES: c1csc(c1)c1nc2n(c1)nccc2
• InChI: InChI=1S/C10H7N3S/c1-4-10-12-8(7-13(10)11-5-1)9-3-2-6-14-9/h1-7H
• InChIKey: PASMWSYQOXVOJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-2-yl)imidazo[1,2-b]pyridazine
• IUPAC Traditional name: 2-(thiophen-2-yl)imidazo[1,2-b]pyridazine
• Synonyms: 2-(Thien-2-yl)imidazo[1,2-b]pyridazine

Database IDs

• MDL Number: MFCD09832524
• PubChem SID: 162038579
• PubChem CID: 16740709

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.44207
• LogD (pH = 7.4): 2.4629235
• Log P: 2.4631963
• Molar Refractivity: 65.4277 cm^3
• Polarizability: 22.007236 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant