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

• ChemBase编号: 309588
• 分子式: C6H8N6
• 平均质量: 164.16792
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 8-hydrazinyl-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
• IUPAC传统名: 8-hydrazinyl-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
• 别名: 8-hydrazino-6-methyl[1,2,4]triazolo[4,3-b]pyridazine

登记号

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

理论计算性质

• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): -0.89464754
• LogD (pH = 7.4): -0.7860426
• Log P: -0.78446627
• 摩尔折射率: 58.288 cm^3
• 极化性: 15.8859625 Å^3
• 极化表面积: 81.13 Å^2