HCID23228261

5-Methyl-3-(4-trifluoromethylphenyl)-1H-[1,2,4]triazole

5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole

C10H8F3N3227.19 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: Cc1nc(-c2ccc(C(F)(F)F)cc2)n[nH]1
InChIKey: AHOLLKANBKUFLL-UHFFFAOYSA-N
分子式: C10H8F3N3
平均分子量: 227.19 g/mol
单同位素质量: 227.06703175

COMPUTED

结构计算性质

已同步

XLogP: 2.9
极性表面积: 41.6 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 1
重原子: 16
形式电荷: 0
复杂度: 236

ALIASES

名称与别名

共 7 条

5-Methyl-3-(4-trifluoromethylphenyl)-1H-[1,2,4]triazoleSCHEMBL1041002SCHEMBL4242661SCHEMBL7679953Z28878961565-methyl-3-(4-trifluoromethyl-phenyl)-1H-[1,2,4]triazol5-methyl-3-(4-trifluoromethyl-phenyl)-1H-[1,2,4]triazole

REACTIONS