pyridazine-3-carbohydrazide

• ChemBase ID: 87298
• Molecular Formular: C5H6N4O
• Molecular Mass: 138.12734
• Monoisotopic Mass: 138.05416083
• SMILES: n1nc(ccc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1cccnn1
• InChI: InChI=1S/C5H6N4O/c6-8-5(10)4-2-1-3-7-9-4/h1-3H,6H2,(H,8,10)
• InChIKey: QSBVLAGQLFROAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridazine-3-carbohydrazide
• IUPAC Traditional name: pyridazine-3-carbohydrazide
• Synonyms: Pyridazine-3-carboxylic acid hydrazide; Pyridazine-3-carboxylic acid hydrazide; Pyridazine-3-carbohydrazide

Database IDs

• CAS Number: 89463-74-1
• MDL Number: MFCD10699097
• PubChem SID: 162074409
• PubChem CID: 44119198

CALCULATED PROPERTIES

• Acid pKa: 11.616681
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2846813
• LogD (pH = 7.4): -1.2842113
• Log P: -1.2841816
• Molar Refractivity: 36.9549 cm^3
• Polarizability: 12.879472 Å^3
• Polar Surface Area: 80.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.6

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%