3-chloro-6-hydrazinyl-4,5-dimethylpyridazine

• ChemBase ID: 238846
• Molecular Formular: C6H9ClN4
• Molecular Mass: 172.61546
• Monoisotopic Mass: 172.05157399
• SMILES: n1c(c(c(c(n1)Cl)C)C)NN
• Canonical SMILES: NNc1nnc(c(c1C)C)Cl
• InChI: InChI=1S/C6H9ClN4/c1-3-4(2)6(9-8)11-10-5(3)7/h8H2,1-2H3,(H,9,11)
• InChIKey: BTWQGBKWNXRDFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-hydrazinyl-4,5-dimethylpyridazine
• IUPAC Traditional name: 3-chloro-6-hydrazinyl-4,5-dimethylpyridazine
• Synonyms: 3-chloro-6-hydrazinyl-4,5-dimethylpyridazine

Database IDs

• MDL Number: MFCD19201374
• PubChem SID: 164294756
• PubChem CID: 12648042

CALCULATED PROPERTIES

• Acid pKa: 18.342812
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.3438593
• LogD (pH = 7.4): 1.6083032
• Log P: 1.6129682
• Molar Refractivity: 49.7331 cm^3
• Polarizability: 16.622408 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.742

Product Information

• Purity: 95%