6-chloro-N-(2-methoxyethyl)pyridazin-3-amine

• ChemBase ID: 124041
• Molecular Formular: C7H10ClN3O
• Molecular Mass: 187.6268
• Monoisotopic Mass: 187.05123964
• SMILES: n1nc(Cl)ccc1NCCOC
• Canonical SMILES: COCCNc1ccc(nn1)Cl
• InChI: InChI=1S/C7H10ClN3O/c1-12-5-4-9-7-3-2-6(8)10-11-7/h2-3H,4-5H2,1H3,(H,9,11)
• InChIKey: KYLSBQYEEOYUAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-(2-methoxyethyl)pyridazin-3-amine
• IUPAC Traditional name: 6-chloro-N-(2-methoxyethyl)pyridazin-3-amine
• Synonyms: 6-chloro-N-(2-methoxyethyl)pyridazin-3-amine

Database IDs

• PubChem SID: 162218394
• PubChem CID: 28551875

CALCULATED PROPERTIES

• Acid pKa: 17.505157
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6199969
• LogD (pH = 7.4): 0.6202818
• Log P: 0.62028545
• Molar Refractivity: 51.1813 cm^3
• Polarizability: 17.90463 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true