6-(morpholin-4-yl)pyridazin-3-ol

• ChemBase ID: 114263
• Molecular Formular: C8H11N3O2
• Molecular Mass: 181.19184
• Monoisotopic Mass: 181.08512661
• SMILES: n1c(N2CCOCC2)ccc(n1)O
• Canonical SMILES: Oc1ccc(nn1)N1CCOCC1
• InChI: InChI=1S/C8H11N3O2/c12-8-2-1-7(9-10-8)11-3-5-13-6-4-11/h1-2H,3-6H2,(H,10,12)
• InChIKey: LPUWUXASFUPADF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholin-4-yl)pyridazin-3-ol
• IUPAC Traditional name: 6-(morpholin-4-yl)pyridazin-3-ol
• Synonyms: 6-morpholin-4-ylpyridazin-3-ol

Database IDs

• MDL Number: MFCD15194890
• PubChem SID: 162099506
• PubChem CID: 11052261

CALCULATED PROPERTIES

• Acid pKa: 9.116813
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.54860574
• LogD (pH = 7.4): 0.54250735
• Log P: 0.5506966
• Molar Refractivity: 49.8754 cm^3
• Polarizability: 17.68093 Å^3
• Polar Surface Area: 58.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.895

Product Information

• Purity: 95+%