5-Methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylic acid 5-甲基-1-(4-硝基苯基)-1H-1,2,4-三唑-3-羧酸
CAS 1025-88-3 MFCD00173063
化学结构图
SMILES: Cc1nc(C(=O)O)nn1-c1ccc([N+](=O)[O-])cc1
化学属性
| Mol. Formula | C10H8N4O4 |
|---|---|
| Mol. Weight | 248.19 |
| Melting Point | 203-205° |
别名和识别编码
| Chemical Name | 5-Methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylic acid |
|---|---|
| CAS Number | 1025-88-3 |
| Alfabeta Name | METHYLNITROPHENYLTRIAZOLECARBOXYLICACID H51411243()---------,, |
| MDL Number | MFCD00173063 |
| Chemical Name Translation | 5-甲基-1-(4-硝基苯基)-1H-1,2,4-三唑-3-羧酸 |
| LabNetwork Molecule ID | LN00146786 |
| PubChem Substance ID | 2768762 |
| InChI | InChI=1S/C10H8N4O4/c1-6-11-9(10(15)16)12-13(6)7-2-4-8(5-3-7)14(17)18/h2-5H,1H3,(H,15,16) |
| Synonym | 5-Methyl-1-(4-nitrophenyl)-1h-1,2,4-triazole-3-carboxylic acid {LY} 5-Methyl-1-(4-nitrophenyl)-1h-1,2,4-triazole-3-carboxylic acid {} {LY} 5-Methyl-1-(4-nitrophenyl)-1h-1,2,4-triazole-3-carboxylic acid {} {} {LY} 5-Methyl-1-(4-nitrophenyl)-1h-1,2,4-triazole-3-carboxylic acid {} {} {} {LY} 5-Methyl-1-(4-nitrophenyl)-1h-1,2,4-triazole-3-carboxylic acid {} {} {} {} {LY} 5-Methyl-1-(4-nitrophenyl)-1h-1,2,4-triazole-3-carboxylic acid {} {} {} {} {} {LY} 5-Methyl-1-(4-nitrophenyl)-1h-1,2,4-triazole-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methyl-1-(4-nitrophenyl)-1h-1,2,4-triazole-3-carboxylic acid {} {} {} {} {} {} {} {LY} 5-Methyl-1-(4-nitrophenyl)-1h-1,2,4-triazole-3-carboxylic acid {} {} {} {} {} {} {} {} {LY} 5-Methyl-1-(4-nitrophenyl)-1h-1,2,4-triazole-3-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 5-Methyl-1-(4-nitrophenyl)-1h-1,2,4-triazole-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 5-Methyl-1-(4-nitrophenyl)-1h-1,2,4-triazole-3-car |
| Canonical SMILES | CC1=NC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O |
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分类
- {KO} Nitros
- {KO} CarboxylicAcids
安全信息
药物吸收、分布、代谢与排泄(ADME)
Lipinski's Rule of 5
Y
H-bond Acceptors
6
Rotatable Bonds
2
H-bond Donors
1
LogP
2
