1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperazine dihydrochloride

• ChemBase ID: 274932
• Molecular Formular: C10H16Cl2N6
• Molecular Mass: 291.18024
• Monoisotopic Mass: 290.0813499
• SMILES: n12nc(N3CCNCC3)ccc1nnc2C.Cl.Cl
• Canonical SMILES: Cc1nnc2n1nc(cc2)N1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H14N6.2ClH/c1-8-12-13-9-2-3-10(14-16(8)9)15-6-4-11-5-7-15;;/h2-3,11H,4-7H2,1H3;2*1H
• InChIKey: WJHYMUBHLICMDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperazine dihydrochloride
• IUPAC Traditional name: 1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperazine dihydrochloride
• Synonyms: 1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperazine dihydrochloride

Database IDs

• MDL Number: MFCD18839022
• PubChem SID: 164330842
• PubChem CID: 54593432

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.9578586
• LogD (pH = 7.4): -1.3708842
• Log P: -0.017841278
• Molar Refractivity: 73.928 cm^3
• Polarizability: 22.59195 Å^3
• Polar Surface Area: 58.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.414

Product Information

• Purity: 95%