1-{imidazo[1,2-b]pyridazin-6-yl}piperazine

• ChemBase ID: 309998
• Molecular Formular: C10H13N5
• Molecular Mass: 203.24372
• Monoisotopic Mass: 203.11709544
• SMILES: n1n2c(ncc2)ccc1N1CCNCC1
• Canonical SMILES: N1CCN(CC1)c1ccc2n(n1)ccn2
• InChI: InChI=1S/C10H13N5/c1-2-10(14-6-3-11-4-7-14)13-15-8-5-12-9(1)15/h1-2,5,8,11H,3-4,6-7H2
• InChIKey: RWXNJNDHWARRGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[1,2-b]pyridazin-6-yl}piperazine
• IUPAC Traditional name: 1-{imidazo[1,2-b]pyridazin-6-yl}piperazine
• Synonyms: 6-(1-piperazinyl)imidazo[1,2-b]pyridazine

Database IDs

• MDL Number: MFCD22575216

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.1643379
• LogD (pH = 7.4): -0.55281025
• Log P: 0.8195456
• Molar Refractivity: 69.2711 cm^3
• Polarizability: 21.690405 Å^3
• Polar Surface Area: 45.46 Å^2