6-oxo-1,6-dihydropyridazine-3-carbohydrazide

• ChemBase ID: 239812
• Molecular Formular: C5H6N4O2
• Molecular Mass: 154.12674
• Monoisotopic Mass: 154.04907545
• SMILES: c1(n[nH]c(=O)cc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1ccc(=O)[nH]n1
• InChI: InChI=1S/C5H6N4O2/c6-7-5(11)3-1-2-4(10)9-8-3/h1-2H,6H2,(H,7,11)(H,9,10)
• InChIKey: FWYQISBPGSZFSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-oxo-1,6-dihydropyridazine-3-carbohydrazide
• IUPAC Traditional name: 6-oxo-1H-pyridazine-3-carbohydrazide
• Synonyms: 6-oxo-1,6-dihydropyridazine-3-carbohydrazide

Database IDs

• MDL Number: MFCD03009312
• PubChem SID: 164295722
• PubChem CID: 1931929

CALCULATED PROPERTIES

• Acid pKa: 9.689538
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.4417807
• LogD (pH = 7.4): -1.4427049
• Log P: -1.4407218
• Molar Refractivity: 38.5386 cm^3
• Polarizability: 13.675272 Å^3
• Polar Surface Area: 96.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.876

Product Information

• Purity: 95%