2,5-dimethyl-3-(piperazin-1-yl)pyrazine

• ChemBase编号: 306808
• 分子式: C10H16N4
• 平均质量: 192.26084
• 单一同位素质量: 192.13749653
• SMILES: c1(nc(cnc1C)C)N1CCNCC1
• Canonical SMILES: Cc1ncc(nc1N1CCNCC1)C
• InChI: InChI=1S/C10H16N4/c1-8-7-12-9(2)10(13-8)14-5-3-11-4-6-14/h7,11H,3-6H2,1-2H3
• InChIKey: WFPZOAOJEXDUGP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dimethyl-3-(piperazin-1-yl)pyrazine
• IUPAC传统名: 2,5-dimethyl-3-(piperazin-1-yl)pyrazine
• 别名: 2,5-dimethyl-3-piperazin-1-ylpyrazine

登记号

• CAS号: 59215-42-8
• MDL号: MFCD05182224

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.9829538
• LogD (pH = 7.4): -1.4056123
• Log P: -0.03278567
• 摩尔折射率: 56.4247 cm^3
• 极化性: 21.367105 Å^3
• 极化表面积: 41.05 Å^2