6-methylphthalazine

• ChemBase ID: 174087
• Molecular Formular: C9H8N2
• Molecular Mass: 144.17322
• Monoisotopic Mass: 144.06874827
• SMILES: n1ncc2c(c1)cc(cc2)C
• Canonical SMILES: Cc1ccc2c(c1)cnnc2
• InChI: InChI=1S/C9H8N2/c1-7-2-3-8-5-10-11-6-9(8)4-7/h2-6H,1H3
• InChIKey: NPOVJYAUMRFAQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylphthalazine
• IUPAC Traditional name: 6-methylphthalazine
• Synonyms: 6-Methyl Phthalazine

Database IDs

• CAS Number: 78032-05-0
• PubChem SID: 164229997
• PubChem CID: 12679508

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2746702
• LogD (pH = 7.4): 1.2786506
• Log P: 1.2787015
• Molar Refractivity: 45.2558 cm^3
• Polarizability: 17.881468 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M325485

6-Methyl Phthalazine is a phthalazine derivative used as melanin biosynthesis inhibitor.

REFERENCES

• Omata, K., et al.: Pesticide Sci., 26, 271 (1989)