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

1025-88-3
SMILES: Cc1nc(C(=O)O)nn1-c1ccc([N+](=O)[O-])cc1

化学属性

Mol. FormulaC10H8N4O4
Mol. Weight248.19
Melting Point203-205°

别名和识别编码

Chemical Name5-Methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylic acid
CAS Number1025-88-3
Alfabeta NameMETHYLNITROPHENYLTRIAZOLECARBOXYLICACID H51411243()---------,,
MDL NumberMFCD00173063
Chemical Name Translation5-甲基-1-(4-硝基苯基)-1H-1,2,4-三唑-3-羧酸
LabNetwork Molecule IDLN00146786
PubChem Substance ID2768762
InChIInChI=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-carboxylic acid {} {}
Canonical SMILESCC1=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

Warnings IRRITANT
Storage condition

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

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. 1,2,4-Triazole 1,2,4-三唑

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