5-chloro-6-hydrazinylpyridazin-4-amine

• ChemBase ID: 238720
• Molecular Formular: C4H6ClN5
• Molecular Mass: 159.57694
• Monoisotopic Mass: 159.0311729
• SMILES: c1(c(c(cnn1)N)Cl)NN
• Canonical SMILES: NNc1nncc(c1Cl)N
• InChI: InChI=1S/C4H6ClN5/c5-3-2(6)1-8-10-4(3)9-7/h1H,7H2,(H3,6,9,10)
• InChIKey: FVXBPOAULCATBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-6-hydrazinylpyridazin-4-amine
• IUPAC Traditional name: 5-chloro-6-hydrazinylpyridazin-4-amine
• Synonyms: 5-chloro-6-hydrazinylpyridazin-4-amine

Database IDs

• MDL Number: MFCD19201393
• PubChem SID: 164294630
• PubChem CID: 14132987

CALCULATED PROPERTIES

• Acid pKa: 16.109577
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -3.4834
• LogD (pH = 7.4): -2.4065151
• Log P: -0.4629777
• Molar Refractivity: 43.2898 cm^3
• Polarizability: 14.254364 Å^3
• Polar Surface Area: 89.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.896

Product Information

• Purity: 95%