4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-amine dihydrochloride

• ChemBase编号: 310248
• 分子式: C6H12Cl2N4
• 平均质量: 211.09228
• 单一同位素质量: 210.04390176
• SMILES: c12c(cnn1CCCN2)N.Cl.Cl
• Canonical SMILES: Nc1cnn2c1NCCC2.Cl.Cl
• InChI: InChI=1S/C6H10N4.2ClH/c7-5-4-9-10-3-1-2-8-6(5)10;;/h4,8H,1-3,7H2;2*1H
• InChIKey: ZXQJNCGXXPUOPN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-amine dihydrochloride
• IUPAC传统名: 4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-amine dihydrochloride
• 别名: 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine dihydrochloride

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -1.1113198
• LogD (pH = 7.4): -0.9792898
• Log P: -0.97731614
• 摩尔折射率: 52.0053 cm^3
• 极化性: 14.142668 Å^3
• 极化表面积: 55.87 Å^2