1-[2-(phthalazin-1-yl)hydrazin-1-yl]phthalazine

• ChemBase ID: 176693
• Molecular Formular: C16H12N6
• Molecular Mass: 288.30668
• Monoisotopic Mass: 288.11234441
• SMILES: c1cccc2c1c(nnc2)NNc1nncc2c1cccc2
• Canonical SMILES: c1ccc2c(c1)c(nnc2)NNc1nncc2c1cccc2
• InChI: InChI=1S/C16H12N6/c1-3-7-13-11(5-1)9-17-19-15(13)21-22-16-14-8-4-2-6-12(14)10-18-20-16/h1-10H,(H,19,21)(H,20,22)
• InChIKey: ITXSXNARZIEBGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(phthalazin-1-yl)hydrazin-1-yl]phthalazine
• IUPAC Traditional name: 1-[2-(phthalazin-1-yl)hydrazin-1-yl]phthalazine
• Synonyms: 1,1'-Hydrazodi-phthalazine; NSC 126695; 1-(2-Phthalazin-1-ylhydrazino)phthalazine

Database IDs

• CAS Number: 24030-07-7
• PubChem SID: 164232603
• PubChem CID: 277728

CALCULATED PROPERTIES

• Acid pKa: 15.33359
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 2.5346334
• LogD (pH = 7.4): 2.536527
• Log P: 2.536551
• Molar Refractivity: 89.9014 cm^3
• Polarizability: 33.692913 Å^3
• Polar Surface Area: 75.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMF; DMSO
• Apperance: Orange Solid