3-hydrazinyl-6-(1H-pyrazol-1-yl)pyridazine

• ChemBase ID: 258722
• Molecular Formular: C7H8N6
• Molecular Mass: 176.17862
• Monoisotopic Mass: 176.08104429
• SMILES: n1(c2nnc(NN)cc2)nccc1
• Canonical SMILES: NNc1ccc(nn1)n1cccn1
• InChI: InChI=1S/C7H8N6/c8-10-6-2-3-7(12-11-6)13-5-1-4-9-13/h1-5H,8H2,(H,10,11)
• InChIKey: GJNSELBGDLLJPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinyl-6-(1H-pyrazol-1-yl)pyridazine
• IUPAC Traditional name: 3-hydrazinyl-6-(pyrazol-1-yl)pyridazine
• Synonyms: 3-hydrazinyl-6-(1H-pyrazol-1-yl)pyridazine

Database IDs

• MDL Number: MFCD11857861
• PubChem SID: 164314632
• PubChem CID: 3031327

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.20405185
• LogD (pH = 7.4): 0.43820772
• Log P: 0.44217962
• Molar Refractivity: 52.4598 cm^3
• Polarizability: 17.543581 Å^3
• Polar Surface Area: 81.65 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 194 - 196°C
• Hydrophobicity(logP): 0.991

Product Information

• Purity: 95%