Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
查看![Ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate 分子结构式](/api/mol/11845780/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)c1cn2c(n1)CNCC2
- InChIKey
- YTYJZXFCWYHVPG-UHFFFAOYSA-N
- 分子式
- C9H13N3O2
- 平均分子量
- 195.22 g/mol
- 单同位素质量
- 195.10077667
COMPUTED
结构计算性质
- XLogP
- -0.3
- 极性表面积
- 56.2 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 3
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 222
ALIASES
名称与别名
Ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate91476-82-3ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxylateMFCD080592575,6,7,8-Tetrahydro-imidazo[1,2-a]pyrazine-2-carboxylic acid ethyl esterEthyl 5678-Tetrahydroimidazo[12-a]pyrazine-2-carboxylateSCHEMBL929672DTXSID40977949YTYJZXFCWYHVPG-UHFFFAOYSA-NSC2741AKOS006284462AB43052SY008395TS-00300CS-0041590EN300-153999F307052Ethyl5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylateEthyl 5 pound not6 pound not7 pound not8-Tetrahydroimidazo[1 pound not2-a]pyrazine-2-carboxylate
REACTIONS
