3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-hydrazinylpyridazine

• ChemBase编号: 124537
• 分子式: C9H12N6
• 平均质量: 204.23178
• 单一同位素质量: 204.11234441
• SMILES: n1(nc(cc1C)C)c1nnc(NN)cc1
• Canonical SMILES: NNc1ccc(nn1)n1nc(cc1C)C
• InChI: InChI=1S/C9H12N6/c1-6-5-7(2)15(14-6)9-4-3-8(11-10)12-13-9/h3-5H,10H2,1-2H3,(H,11,12)
• InChIKey: PJHKOSYTSUNMEQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-hydrazinylpyridazine
• IUPAC传统名: 3-(3,5-dimethylpyrazol-1-yl)-6-hydrazinylpyridazine
• 别名: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-hydrazinopyridazine; 3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-hydrazinylpyridazine

登记号

• CAS号: 70589-04-7
• MDL号: MFCD00493900
• PubChem SID: 162218890
• PubChem CID: 3053972

理论计算性质

• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 0.51865155
• LogD (pH = 7.4): 0.7687876
• Log P: 0.7731111
• 摩尔折射率: 62.201 cm^3
• 极化性: 21.05683 Å^3
• 极化表面积: 81.65 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true