57115-46-5 (1-羟基-7-氮杂苯并噻唑,1-Hydroxy-7-azabenzotriazole)

CAS号:
57115-46-5
中文名称:
1-羟基-7-氮杂苯并噻唑
英文名称:
1-Hydroxy-7-azabenzotriazole
分子式:
C5H4N4O
分子量:
136.111459732056

1-羟基-7-氮杂苯并噻唑(57115-46-5)名称与标识符

名称

中文别名:
1-羟基-7-氮杂苯并噻唑;
英文别名:
1-Hydroxy-7-azabenzotriazole;UNII-TX8XYH09H0;1-Hydroxy-7-azabenzotriazole solution;(1,2,3)TRIAZOLO(4,5-B)PYRIDIN-3-OL;DTXSID0075239;39968-33-7;SCHEMBL5393;3H-1,2,3-triazolo[4,5-b]pyridine-3-ol;1-HYDROXY-7-AZABENZOTRIAZOLE [MI];A824827;1-hydroxy-7 azabenzotriazole;3H-1,2,3-TRIAZOLO(4,5-B)PYRIDINE-3-OL;HOAt 1-Hydroxy-7-azabenzotriazole;BP-12721;3-hydroxytriazolo[4,5-b]pyridine;1-hydroxy-7azabenzotriazole;BBL104414;HOAT solution;AS-11821;HOAT [1-Hydroxy-7-azabenzotriazole];HOAt Form I;3H-(1,2,3)triazolo(4,5-b)pyridin-3-ol;1-hydroxy-7-azabenztriazole;1-hydroxy-7-aza-benzotriazole;DB-226262;BCP25461;AKOS000265235;AC-24873;Q4545784;SCHEMBL563818;FH162259;1-hydroxy-7-azabenzo-triazole;HOAt - 0.6M in DMF;MFCD00210053;1-hydroxy-7-aza-1H-1,2,3-benzotriazole;NS00030690;1-Hydroxy-7-azabenzotriazole; 3H-[1,2,3]-Triazolo[4,5-b]pyridin-3-ol;3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-;3-oxidanyl-[1,2,3]triazolo[4,5-b]pyridine;TX8XYH09H0;1-hydroxy-t-axabenzotrazole;1-hydroxy-7-azabenzotriazol;1-Hydroxy-7-azabenzotriazole solution, 1 M in DMA;InChI=1/C5H4N4O/c10-9-5-4(7-8-9)2-1-3-6-5/h1-3,10;7-Aza-1-hydroxybenzotriazole;[1,2,3]Triazolo[4,5-b]pyridin-3-ol;ALBB-006385;T1673;1-Hydroxy-7-azabenzotriazole(wetted with water >15%);1-hydroxyl-7-azabenzotriazole;3H-1,2,3-Triazolo[4,5-b]pyridin-3-ol;EN300-194281;1-Hydroxy-7-azabenzotriazole (HOAt);HOAt Form II;CS-W019594;Z1203162550;609-760-3;1-HYDROXY-1H-V-TRIAZOLO(4,5-B)PYRIDINE;SB40481;57115-46-5;3H-[1,2,3]triazolo[4,5-b]pyridin-3-ol;3H-1,2,3-Triazolo(4,5-b)pyridine, 3-hydroxy-;HOAT;1-Hydroxy-7-azabenzotriazole;3H-[1,2,3]-Triazolo[4,5-b]pyridin-3-ol;HOAt;1-Hydroxy-7-azabenzotriazole solution, 0.6 M in DMF;STK503884;

标识符

InChIKey:
FPIRBHDGWMWJEP-UHFFFAOYSA-N
Inchi:
1S/C5H4N4O/c10-9-5-4(7-8-9)2-1-3-6-5/h1-3,10H
SMILES:
ON1C2C(=CC=CN=2)N=N1

1-羟基-7-氮杂苯并噻唑(57115-46-5)物化性质

计算特性

  • 精确分子量 : 136.03851076Da
  • 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 : 136.03851076Da
  • 重原子数量 : 10
  • 复杂度 : 131
  • 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) : 0.5
  • 拓扑分子极性表面积 : 63.8Ų

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