6-amino-2-hydrazinyl-3,4-dihydropyrimidin-4-one

• ChemBase编号: 309744
• 分子式: C4H7N5O
• 平均质量: 141.13128
• 单一同位素质量: 141.06505987
• SMILES: n1c([nH]c(=O)cc1N)NN
• Canonical SMILES: NNc1nc(N)cc(=O)[nH]1
• InChI: InChI=1S/C4H7N5O/c5-2-1-3(10)8-4(7-2)9-6/h1H,6H2,(H4,5,7,8,9,10)
• InChIKey: WKEKLUNEDDPJSX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-amino-2-hydrazinyl-3,4-dihydropyrimidin-4-one
• IUPAC传统名: 6-amino-2-hydrazinyl-3H-pyrimidin-4-one
• 别名: 6-amino-2-hydrazino-4(3H)-pyrimidinone

登记号

• MDL号: MFCD00227615

理论计算性质

• 质子受体: 5
• 质子供体: 4
• LogD (pH = 5.5): -1.6918676
• LogD (pH = 7.4): -1.5356312
• Log P: -1.5183045
• 摩尔折射率: 56.0614 cm^3
• 极化性: 12.866118 Å^3
• 极化表面积: 105.53 Å^2