2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine

• ChemBase编号: 308890
• 分子式: C7H11N3
• 平均质量: 137.18234
• 单一同位素质量: 137.09529737
• SMILES: n12nc(cc1CNCC2)C
• Canonical SMILES: Cc1nn2c(c1)CNCC2
• InChI: InChI=1S/C7H11N3/c1-6-4-7-5-8-2-3-10(7)9-6/h4,8H,2-3,5H2,1H3
• InChIKey: FWAIOFFELQKIOL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine
• IUPAC传统名: 2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine
• 别名: 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

登记号

• CAS号: 1209273-29-9
• MDL号: MFCD12198501

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.2915444
• LogD (pH = 7.4): -0.6120345
• Log P: -0.16069895
• 摩尔折射率: 50.7094 cm^3
• 极化性: 15.133586 Å^3
• 极化表面积: 29.85 Å^2