6-chloro-3-hydrazinylpyridazin-4-amine

• ChemBase ID: 289678
• Molecular Formular: C4H6ClN5
• Molecular Mass: 159.57694
• Monoisotopic Mass: 159.0311729
• SMILES: Nc1cc(Cl)nnc1NN
• Canonical SMILES: Nc1cc(Cl)nnc1NN
• InChI: InChI=1S/C4H6ClN5/c5-3-1-2(6)4(8-7)10-9-3/h1H,7H2,(H2,6,9)(H,8,10)
• InChIKey: ZKDLFTXWBSJIKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-hydrazinylpyridazin-4-amine
• IUPAC Traditional name: 6-chloro-3-hydrazinylpyridazin-4-amine
• Synonyms: 6-Chloro-3-hydrazinylpyridazin-4-amine

Database IDs

• CAS Number: 934-26-9
• MDL Number: MFCD19201394
• PubChem SID: 180675209
• PubChem CID: 250005

CALCULATED PROPERTIES

• Acid pKa: 17.753658
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.48458865
• LogD (pH = 7.4): -0.2468552
• Log P: -0.24280052
• Molar Refractivity: 44.3511 cm^3
• Polarizability: 14.291715 Å^3
• Polar Surface Area: 89.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%