pyrimido[4,5-c]pyridazin-5-ol

• ChemBase ID: 119514
• Molecular Formular: C6H4N4O
• Molecular Mass: 148.12216
• Monoisotopic Mass: 148.03851077
• SMILES: c12c(ncnc1O)nncc2
• Canonical SMILES: Oc1ncnc2c1ccnn2
• InChI: InChI=1S/C6H4N4O/c11-6-4-1-2-9-10-5(4)7-3-8-6/h1-3H,(H,7,8,10,11)
• InChIKey: ZZMFFWQHOSUHLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrimido[4,5-c]pyridazin-5-ol
• IUPAC Traditional name: pyrimido[4,5-c]pyridazin-5-ol
• Synonyms: pyrimido[4,5-c]pyridazin-5-ol

Database IDs

• PubChem SID: 162107638
• PubChem CID: 5978313

CALCULATED PROPERTIES

• Acid pKa: 10.761552
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.15649109
• LogD (pH = 7.4): -0.15666918
• Log P: -0.15648308
• Molar Refractivity: 40.3741 cm^3
• Polarizability: 14.254591 Å^3
• Polar Surface Area: 71.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true