基本情報
- 標準SMILES
O=C(CC(O)Cc1cc(F)c(F)cc1F)N1CCn2c(nnc2C(F)(F)F)C1- InChIKey
GUBAVYYUZMCLIR-UHFFFAOYSA-N- 分子式
- C16H14F6N4O2
- 平均分子量
- 408.3 g/mol
- 単同位体質量
- 408.10209467
名称と識別子
- 優先名称
- 3-hydroxy-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
- IUPAC
- 3-hydroxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
名称と別名
1253056-01-73-hydroxy-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-oneSitagliptin Impurity 773-hydroxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one1-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-hydroxy-4-(2,4,5-trifluorophenyl)-1-butanone3-hydroxy-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-oneSitagliptin Hydroxy Amide ImpuritySitagliptin Impurity 10Sitaglipti n impurity 13orb3213209SCHEMBL12891581-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-hydroxy-4-(2,4,5-trifluo
名称をさらに表示
IS106472CS-0165445EN300-7349021-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)-3-hydroxybutan-1-one3-hydroxy-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl) butan-1-one3-hydroxy-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one? (Sitagliptin Impurity pound(c)
物性
構造計算による物性
- XLogP
- 1
- 極性表面積
- 71.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 10
- 回転可能結合数
- 4
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 568
関連反応
6 件
化合物ノート
読み込み中…