6-hydrazinylpyridazine-3-carboxamide

• ChemBase ID: 237408
• Molecular Formular: C5H7N5O
• Molecular Mass: 153.14198
• Monoisotopic Mass: 153.06505987
• SMILES: n1c(C(=O)N)ccc(n1)NN
• Canonical SMILES: NNc1ccc(nn1)C(=O)N
• InChI: InChI=1S/C5H7N5O/c6-5(11)3-1-2-4(8-7)10-9-3/h1-2H,7H2,(H2,6,11)(H,8,10)
• InChIKey: WRYZEGZNBYOMLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hydrazinylpyridazine-3-carboxamide
• IUPAC Traditional name: hydracarbazine
• Synonyms: 6-hydrazinopyridazine-3-carboxamide

Database IDs

• MDL Number: MFCD00867322
• PubChem SID: 164293318
• PubChem CID: 71653

CALCULATED PROPERTIES

• Acid pKa: 13.879839
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.0104017
• LogD (pH = 7.4): -1.0021094
• Log P: -1.0016057
• Molar Refractivity: 42.491 cm^3
• Polarizability: 14.046437 Å^3
• Polar Surface Area: 106.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 251 - 253°C
• Hydrophobicity(logP): -1.599

Product Information

• Purity: 95%