8-hydrazinyl-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine

• ChemBase ID: 309588
• Molecular Formular: C6H8N6
• Molecular Mass: 164.16792
• Monoisotopic Mass: 164.08104429
• SMILES: c12n(nc(cc1NN)C)cnn2
• Canonical SMILES: NNc1cc(C)nn2c1nnc2
• InChI: InChI=1S/C6H8N6/c1-4-2-5(9-7)6-10-8-3-12(6)11-4/h2-3,9H,7H2,1H3
• InChIKey: CXLRKVWXUIJDHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-hydrazinyl-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
• IUPAC Traditional name: 8-hydrazinyl-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
• Synonyms: 8-hydrazino-6-methyl[1,2,4]triazolo[4,3-b]pyridazine

Database IDs

• CAS Number: 89533-53-9
• MDL Number: MFCD18381934

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.89464754
• LogD (pH = 7.4): -0.7860426
• Log P: -0.78446627
• Molar Refractivity: 58.288 cm^3
• Polarizability: 15.8859625 Å^3
• Polar Surface Area: 81.13 Å^2