3875-55-6 (3a-ethyl-6a-methyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione,3a-ethyl-6a-methyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione)

CAS号:
3875-55-6
中文名称:
3a-ethyl-6a-methyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
英文名称:
3a-ethyl-6a-methyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
分子式:
C7H12N4O2
分子量:
184.195780754089

3a-ethyl-6a-methyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione(3875-55-6)名称与标识符

名称

中文别名:
3a-ethyl-6a-methyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione;
英文别名:
3a-ethyl-6a-methyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione;AC1Q6GPW;AC1L65U0;AG-K-76571;3a-ethyl-6a-methyltetrahydroimidazo[4,5-d]imidazole-2,5(1h,3h)-dione;3a-ethyl-6a-methyl-tetrahydro-imidazo[4,5-d]imidazole-2,5-dione;AR-1F1642;CTK4I0431;NSC145798;2,5-Dioxo-3a-aethyl-6a-methyl-octahydro-imidazo<4,5-d>imidazol;AC1Q6GPW; AC1L65U0; AG-K-76571; 3a-ethyl-6a-methyltetrahydroimidazo[4,5-d]imidazole-2,5(1h,3h)-dione; 3a-ethyl-6a-methyl-tetrahydro-imidazo[4,5-d]imidazole-2,5-dione; AR-1F1642; CTK4I0431; NSC145798; 2,5-Dioxo-3a-aethyl-6a-methyl-octahydro-imidazo< 4,5-d> imidazol;;3875-55-6;DTXSID30301678;NSC-145798;

标识符

InChIKey:
UCHDTHAIFKUJHI-UHFFFAOYSA-N
Inchi:
1S/C7H12N4O2/c1-3-7-6(2,8-4(12)10-7)9-5(13)11-7/h3H2,1-2H3,(H2,8,10,12)(H2,9,11,13)
SMILES:
O=C1NC2(C)C(CC)(NC(N2)=O)N1

3a-ethyl-6a-methyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione(3875-55-6)物化性质

实验特性

  • PSA : 82.26

计算特性

  • 精确分子量 : 184.09616
  • 氢键供体数量 : 4
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 1
  • 同位素质量 : 184.09602564g/mol
  • 重原子数量 : 13
  • 复杂度 : 268
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -0.7
  • 拓扑分子极性表面积 : 82.3Ų