5-(methylamino)pyridazin-3-ol

• ChemBase ID: 285982
• Molecular Formular: C5H7N3O
• Molecular Mass: 125.12858
• Monoisotopic Mass: 125.05891186
• SMILES: n1nc(cc(c1)NC)O
• Canonical SMILES: CNc1cc(O)nnc1
• InChI: InChI=1S/C5H7N3O/c1-6-4-2-5(9)8-7-3-4/h2-3H,1H3,(H2,6,8,9)
• InChIKey: JMVBKLJRNKZSJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(methylamino)pyridazin-3-ol
• IUPAC Traditional name: 5-(methylamino)pyridazin-3-ol
• Synonyms: 5-(methylamino)pyridazin-3-ol

Database IDs

• MDL Number: MFCD21090677
• PubChem SID: 180671513
• PubChem CID: 21691755

CALCULATED PROPERTIES

• Acid pKa: 7.919292
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.46500385
• LogD (pH = 7.4): -0.57356006
• Log P: -0.46052623
• Molar Refractivity: 36.2526 cm^3
• Polarizability: 12.169143 Å^3
• Polar Surface Area: 58.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 279 - 281°C
• Hydrophobicity(logP): -1.253

Product Information

• Purity: 95%