4-甲基-5-丙氧基-1,2,4-三唑啉酮 | 145027-96-9
4-甲基-5-丙氧基-1,2,4-三唑啉酮
4-Methyl-3-propoxy-1H-1,2,4-triazol-5(4H)-one
145027-96-9
C6H11N3O2
157.1704
名称和标识符
MDL |
MFCD09744039 |
InChIKey |
HSOFIFZZCZLBFE-UHFFFAOYSA-N |
Inchi |
1S/C6H11N3O2/c1-3-4-11-6-8-7-5(10)9(6)2/h3-4H2,1-2H3,(H,7,10) |
SMILES |
O(C1=NN([H])C(N1C([H])([H])[H])=O)C([H])([H])C([H])([H])C([H])([H])[H] |
别名信息
- 中文别名 -
- 4-甲基-5-丙氧基-1,2,4-三唑啉酮
- 丙苯磺隆中间体
- 三唑啉酮中间体
- 5-丙氧基-4-甲基-1,2,4-三唑啉酮
- 4-甲基-3-丙氧基-1H-1,2,4-三唑-5(4H)-酮
- 丙苯磺隆中间体 (5-丙氧基-4-甲基-1,2,4-三唑啉酮)
- 英文别名 -
- 4-Methyl-3-propoxy-1H-1,2,4-triazol-5(4H)-one
- 2,4-Dihydro-4-methyl-5-propoxy-3H-1,2,4-triazol-3-one
- 3H-1,2,4-triazol-3-one, 2,4-dihydro-4-methyl-5-propoxy-
- 4-Methyl-5-propoxy-2,4-dihydro-3H-1,2,4-triazol-3-one
- 3H-1,2,4-triazol-3-one,2,4-dihydro-5-propoxy-4-methyl
- AK102780
- 4-methyl-3-propoxy-1H-1,2,4-triazol-5-one
- KSC496S4D
- HSOFIFZZCZLBFE-UHFFFAOYSA-N
- 7163AA
- FCH1177400
- 4-methyl-5-propoxy-2,4-dihydro-3H-1,2,4-triazol-3-one
- 145027-96-9
- 145027-96-9
- C72751
- C72751
- NS00007895
- NS00007895
- 5-propoxy-4-methyl-2,4-dihydro-1,2,4-triazol-3-one
- 5-propoxy-4-methyl-2,4-dihydro-1,2,4-triazol-3-one
- 2,4-DIHYDRO-4-METHYL-5-PROPOXY-3H-1,2,4-TRIAZOL-3-ONE
- 2,4-DIHYDRO-4-METHYL-5-PROPOXY-3H-1,2,4-TRIAZOL-3-ONE
- DS-3942
- DS-3942
- DTXSID00888981
- DTXSID00888981
- A884678
- SCHEMBL6228685
- A884678
- MFCD09744039
- SCHEMBL6228685
- MFCD09744039
- M10 (N-methyl propoxy triazolinone)
- M10 (N-methyl propoxy triazolinone)
- CS-0187037
- EC 809-941-9
- CS-0187037
- 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-propoxy-
- EC 809-941-9
- VFA02796
- 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-propoxy-
- AKOS016005054
- VFA02796
- AKOS016005054
物化性质
实验特性
LogP |
0.30950 |
PSA |
53.93 |
折射率 |
1.557 |
密度 |
1.28 |
计算特性
精确分子量 |
157.08523 |
氢键供体数量 |
1 |
氢键受体数量 |
3 |
可旋转化学键数量 |
3 |
同位素质量 |
157.085126602g/mol |
重原子数量 |
11 |
复杂度 |
190 |
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) |
0.7 |
拓扑分子极性表面积 |
53.9 |