2-hydrazinyl-4-(pyridin-3-yl)pyrimidine

• ChemBase编号: 309855
• 分子式: C9H9N5
• 平均质量: 187.20126
• 单一同位素质量: 187.08579531
• SMILES: n1c(nccc1c1cnccc1)NN
• Canonical SMILES: NNc1nccc(n1)c1cccnc1
• InChI: InChI=1S/C9H9N5/c10-14-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H,10H2,(H,12,13,14)
• InChIKey: IJSPWNCSNGGZRA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-hydrazinyl-4-(pyridin-3-yl)pyrimidine
• IUPAC传统名: 2-hydrazinyl-4-(pyridin-3-yl)pyrimidine
• 别名: 2-hydrazino-4-(3-pyridinyl)pyrimidine

登记号

• MDL号: MFCD22575209

理论计算性质

• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 0.69752556
• LogD (pH = 7.4): 0.93166655
• Log P: 0.9355673
• 摩尔折射率: 54.9823 cm^3
• 极化性: 21.164335 Å^3
• 极化表面积: 76.72 Å^2