Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)c1cc2nnc(-c3cc(F)ccc3F)n2nc1Cl
- InChIKey
- GZXWCQOQLLVREN-UHFFFAOYSA-N
- 分子式
- C15H13ClF2N4
- 平均分子量
- 322.74 g/mol
- 单同位素质量
- 322.0796804
COMPUTED
结构计算性质
- XLogP
- 4.2
- 极性表面积
- 43.1 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 2
- 重原子
- 22
- 形式电荷
- 0
- 复杂度
- 405
物化、安全与法规信息正在同步。
ALIASES
名称与别名
286456-54-07-tert-Butyl-6-chloro-3-(2,5-difluorophenyl)-1,2,4-triazolo[4,3-b]pyridazine7-(tert-Butyl)-6-chloro-3-(2,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine6-Chloro-3-(2,5-difluorophenyl)-7-(1,1-dimethylethyl)-1,2,4-triazolo[4,3-b]pyridazine7-tert-butyl-6-chloro-3-(2,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazineGZXWCQOQLLVREN-UHFFFAOYSA-N1,2,4-Triazolo[4,3-b]pyridazine, 6-chloro-3-(2,5-difluorophenyl)-7-(1,1-dimethylethyl)-; 6-Chloro-3-(2,5-difluorophenyl)-7-(1,1-dimethylethyl)-1,2,4-triazolo[4,3-b]pyridazine; 7-tert-Butyl-6-chloro-3-(2,5-difluorophenyl)-1,2,4-triazolo[4,3-b]pyridazine7-tert-Butyl-6-chloro-3-(2,5-difluorophenyl)-1,2,4-triazolo[4,3-beta]pyridazineSCHEMBL248720DTXSID30460335AKOS0274476911,2,4-Triazolo[4,3-b]pyridazine,6-chloro-3-(2,5-difluorophenyl)-7-(1,1-dimethylethyl)-DB-3183557-tert-Butyl-6-chloro-3-(2,5-difluorophenyl)[1,2,4]triazolo[4,3-b]pyridazine
REACTIONS