methyl 6-(piperazin-1-yl)pyridazine-3-carboxylate dihydrochloride

• ChemBase ID: 241824
• Molecular Formular: C10H16Cl2N4O2
• Molecular Mass: 295.16564
• Monoisotopic Mass: 294.06503113
• SMILES: n1c(C(=O)OC)ccc(n1)N1CCNCC1.Cl.Cl
• Canonical SMILES: COC(=O)c1ccc(nn1)N1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H14N4O2.2ClH/c1-16-10(15)8-2-3-9(13-12-8)14-6-4-11-5-7-14;;/h2-3,11H,4-7H2,1H3;2*1H
• InChIKey: DOJPXMYMIBYVOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-(piperazin-1-yl)pyridazine-3-carboxylate dihydrochloride
• IUPAC Traditional name: methyl 6-(piperazin-1-yl)pyridazine-3-carboxylate dihydrochloride
• Synonyms: methyl 6-(piperazin-1-yl)pyridazine-3-carboxylate dihydrochloride

Database IDs

• MDL Number: MFCD22565937
• PubChem SID: 164297734
• PubChem CID: 71756889

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.7899027
• LogD (pH = 7.4): -1.187947
• Log P: 0.13170376
• Molar Refractivity: 60.9152 cm^3
• Polarizability: 22.320526 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.228

Product Information

• Purity: 95%