3-chloro-6-(4-methylpiperidin-1-yl)pyridazine

• ChemBase ID: 123708
• Molecular Formular: C10H14ClN3
• Molecular Mass: 211.69126
• Monoisotopic Mass: 211.08762514
• SMILES: N1(c2nnc(cc2)Cl)CCC(CC1)C
• Canonical SMILES: CC1CCN(CC1)c1ccc(nn1)Cl
• InChI: InChI=1S/C10H14ClN3/c1-8-4-6-14(7-5-8)10-3-2-9(11)12-13-10/h2-3,8H,4-7H2,1H3
• InChIKey: QAVLTOHWKKYUBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-(4-methylpiperidin-1-yl)pyridazine
• IUPAC Traditional name: 3-chloro-6-(4-methylpiperidin-1-yl)pyridazine
• Synonyms: 3-chloro-6-(4-methylpiperidin-1-yl)pyridazine

Database IDs

• PubChem SID: 162218061
• PubChem CID: 19164211

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4397206
• LogD (pH = 7.4): 2.4399095
• Log P: 2.4399118
• Molar Refractivity: 61.0632 cm^3
• Polarizability: 21.95177 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true