6-methylpyridazine-3-carboximidamide

• ChemBase编号: 309875
• 分子式: C6H8N4
• 平均质量: 136.15452
• 单一同位素质量: 136.07489628
• SMILES: c1(nnc(cc1)C)C(=N)N
• Canonical SMILES: Cc1ccc(nn1)C(=N)N
• InChI: InChI=1S/C6H8N4/c1-4-2-3-5(6(7)8)10-9-4/h2-3H,1H3,(H3,7,8)
• InChIKey: WOFXPZGXPMDYAD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-methylpyridazine-3-carboximidamide
• IUPAC传统名: 6-methylpyridazine-3-carboximidamide
• 别名: 6-methyl-3-pyridazinecarboximidamide

登记号

• MDL号: MFCD19982764

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -2.893661
• LogD (pH = 7.4): -1.3988163
• Log P: -0.7865076
• 摩尔折射率: 49.6564 cm^3
• 极化性: 14.016792 Å^3
• 极化表面积: 75.65 Å^2