[1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazine

• ChemBase ID: 310421
• Molecular Formular: C9H8N6
• Molecular Mass: 200.20002
• Monoisotopic Mass: 200.08104429
• SMILES: n12c(c3c(c(n1)NN)cccc3)nnc2
• Canonical SMILES: NNc1nn2cnnc2c2c1cccc2
• InChI: InChI=1S/C9H8N6/c10-12-8-6-3-1-2-4-7(6)9-13-11-5-15(9)14-8/h1-5H,10H2,(H,12,14)
• InChIKey: YDEVRXFFVFPHBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazine
• IUPAC Traditional name: [1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazine
• Synonyms: 6-hydrazino[1,2,4]triazolo[3,4-a]phthalazine

Database IDs

• CAS Number: 21517-30-6
• MDL Number: MFCD00490040

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.6600552
• LogD (pH = 7.4): 0.6679957
• Log P: 0.66809785
• Molar Refractivity: 70.4602 cm^3
• Polarizability: 21.584988 Å^3
• Polar Surface Area: 81.13 Å^2