4-((1H-1,2,4-三唑-5-基)甲基)哌啶结构式

4-((1H-1,2,4-三唑-5-基)甲基)哌啶
中文名称:4-((1H-1,2,4-三唑-5-基)甲基)哌啶
英文名称:4-(1H-1,2,4-triazol-3-yl)methylpiperidine
CAS No.:1543026-20-5
分子式:C8H14N4 分子量:166.223560810089
4-((1H-1,2,4-三唑-5-基)甲基)哌啶 数据
Mol:
8    0.7481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0818    0.1350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6693   -0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8623   -0.4080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7761    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  0      
  3  4  1  0      
  4  5  1  0      
  5  6  1  0      
  1  6  1  0      
  8  9  1  0      
  9 10  2  0      
 10 11  1  0      
 11 12  2  0      
  8 12  1  0      
  7 12  1  0      
  4  7  1  0      
M  END                                
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4-((1H-1,2,4-三唑-5-基)甲基)哌啶 Smile 编码:
N1CCC(CC2NN=CN=2)CC1
4-((1H-1,2,4-三唑-5-基)甲基)哌啶 InChi 编码:
1S/C8H14N4/c1-3-9-4-2-7(1)5-8-10-6-11-12-8/h6-7,9H,1-5H2,(H,10,11,12)
4-((1H-1,2,4-三唑-5-基)甲基)哌啶 InChiKey 编码:
GAWOYKRMNCXPMM-UHFFFAOYSA-N