3H-1,2,3-噻唑并[4,5-d]嘧啶 (9ci) | 179192-35-9
中文名称:
3H-1,2,3-噻唑并[4,5-d]嘧啶 (9ci)
英文名称:
3H-1,2,3-Triazolo[4,5-d]pyrimidine
CAS No.:
179192-35-9
分子式:
C4 H3 N5
分子量:
121.10012
名称和标识符
InChIKey
GIIGHSIIKVOWKZ-UHFFFAOYSA-N
Inchi
InChI=1S/C4H3N5/c1-3-4(6-2-5-1)8-9-7-3/h1-2H,(H,5,6,7,8,9)
SMILES
N1C2=C(N=CN=C2)NN=1
别名信息
- 中文别名 -
3H-1,2,3-噻唑并[4,5-d]嘧啶 (9ci)
- 英文别名 -
3H-1,2,3-Triazolo[4,5-d]pyrimidine
3H-1,2,3-Triazolo[4,5-d]pyrimidine (9CI)
2H-triazolo[4, 5-d]pyrimidine
1,2,3,4,6-PENTAAZAINDENE
99331-25-6
179192-35-9
8-Azapurine
GIIGHSIIKVOWKZ-UHFFFAOYSA-N
3H-1,2,3-TRIAZOLO(4,5-D)PYRIMIDINE
4H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE
EN300-6746028
3H-[1,2,3]triazolo[4,5-d]pyrimidine
1H-1,2,3-Triazolo[4,5-d]pyrimidine (9CI)
H49B4KW3PH
DTXSID80181745
SCHEMBL26606
4H-1,2,3-Triazolo[4,5-d]pyrimidine (9CI)
UNII-H49B4KW3PH
1H-1,2,3-Triazolo(4,5-d)pyrimidine
179268-22-5
179268-21-4
6H-1,2,3-Triazolo[4,5-d]pyrimidine (9CI)
273-40-5
2H-triazolo[4,5-d]pyrimidine
SCHEMBL11026556
AKOS006372727
1h-[1,2,3]triazolo[4,5-d]pyrimidine
物化性质
实验特性
计算特性
精确分子量
121.03899
氢键供体数量
1
氢键受体数量
4
可旋转化学键数量
0
同位素质量
121.03884512g/mol
重原子数量
9
复杂度
105
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)
-0.4
拓扑分子极性表面积
67.4Ų
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