4-chloro-2-methyl-5-(1-methylhydrazin-1-yl)-2,3-dihydropyridazin-3-one

• ChemBase ID: 79097
• Molecular Formular: C6H9ClN4O
• Molecular Mass: 188.61486
• Monoisotopic Mass: 188.04648861
• SMILES: n1cc(c(c(=O)n1C)Cl)N(N)C
• Canonical SMILES: CN(c1cnn(c(=O)c1Cl)C)N
• InChI: InChI=1S/C6H9ClN4O/c1-10(8)4-3-9-11(2)6(12)5(4)7/h3H,8H2,1-2H3
• InChIKey: UKPMAZBURJFXCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-methyl-5-(1-methylhydrazin-1-yl)-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 4-chloro-2-methyl-5-(1-methylhydrazin-1-yl)pyridazin-3-one
• Synonyms: 4-Chloro-2-methyl-5-(1-methylhydrazino)-2,3-dihydropyridazin-3-one; 4-chloro-2-methyl-5-(1-methylhydrazin-1-yl)-2,3-dihydropyridazin-3-one

Database IDs

• CAS Number: 96017-23-1
• MDL Number: MFCD00052906
• PubChem SID: 162043860
• PubChem CID: 2774689

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.94378746
• LogD (pH = 7.4): -0.79730517
• Log P: -0.7950776
• Molar Refractivity: 48.5325 cm^3
• Polarizability: 17.266903 Å^3
• Polar Surface Area: 61.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124 - 126°C; 131-133°C
• Hydrophobicity(logP): -0.506

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 95%; 97%