N-(3,5-di-2-pyrazinyl-4H-1,2,4-triazol-4-yl)-2-pyrazinecarboxamide | 1256166-84-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-(3,5-di-2-pyrazinyl-4H-1,2,4-triazol-4-yl)-2-pyrazinecarboxamide
• 英文别名: 3,5-bis(2-pyrazinyl)-1,2,4-triazole-4-yl-N-pyrazinamide；N-(3,5-di-2-pyrazinyl-4h-1,2,4-triazol-4-yl)-2-pyrazinecarboxamide；N-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-4-yl]pyrazine-2-carboxamide
• CAS: 1256166-84-3
• 化学式: C₁₅H₁₀N₁₀O
• 分子量: 346.311
• InChiKey: ZXGCPTFRKPREDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  137
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  copper acetylacetonate 、 N-(3,5-di-2-pyrazinyl-4H-1,2,4-triazol-4-yl)-2-pyrazinecarboxamide 以 乙腈 为溶剂， 反应 0.5h， 以73%的产率得到{[Cu(pztp)(acetylacetonate)]*0.5H₂O}
  参考文献：
  名称：

  两种不同的铜 (II) 配位聚合物与多功能多齿 N 供体配体的阴离子诱导组装

  摘要：

  配体 N-(3,5-di-2-pyrazinyl-4H-1,2,4-triazol-4-yl)-2-pyrazinecarboxamide (Hpztp) 与 CuSO4 和 Cu(acac)2（acac = 乙酰丙酮化物）的反应)，分别产生两种不同的 CuII 配位聚合物 {[Cu3(pztp)2(SO4)2(H2O)2]·3H2O}n 和 {[Cu(pztp)(acac)]·0.5H2O}n。两种配合物都已在结构上确定，并通过物理化学和光谱方法进行表征。结果表明，通过使用不同的阴离子（SO42− 与 acac−），所得配位结构的维数（从 2D 到 1D）以及 pztp 配体的构象和结合​​方式都发生了显着变化。也就是说，阴离子的选择将在诱导结晶材料的形成中起关键作用。两种配合物的热稳定性也得到了探索和讨论。

  DOI：

  10.1007/s11243-013-9715-7
• 作为产物：
  描述：

  2,5-二(吡嗪-2-基)-1,3,4-恶二唑 在 zinc(II) sulfate heptahydrate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以38%的产率得到N-(3,5-di-2-pyrazinyl-4H-1,2,4-triazol-4-yl)-2-pyrazinecarboxamide
  参考文献：
  名称：

  Metal-Involved Solvothermal Interconversions of Pyrazinyl Substituted Azole Derivatives: Controllability and Mechanism

  摘要：

  Under different solvothermal reaction conditions I (60 degrees C for 48 h) and II (140 degrees C for 72 h) the dipyrazinyl compounds beating oxadiazole and triazole spacers that is 2 5-bis(2-pyrazinyl)-1 3 4-oxadiazole (L-1) and 4-amino-3 5 bis(2-pyrazinyl)-1,2,4-triazole (L-2), may suffer reversible conversions in the presence of certain metal salts Other related derivatives such as 3,5-bis(2-pyrazinyl)-1,2 4-triazole 4-yl-N-pyrazinamide (HL4) and pyrazine-2-carboxylic acid (HL0) can also be (In situ) obtained from L-1 and L-2, respectively, under conditions I and II Beyond this N N'-bis(2 pyrazinoamide) (H2L3) can be in situ afforded from both precursors L-1 and L-2, and thus, may be considered as the potential intermediate during the interconversions The possible mechanisms and influence factors of these reactions have also been established based on the experimental results As a result, a variety of crystalline materials (co-crystals and coordination complexes) with attractive supramolecular architectures have been isolated by regulating the reaction conditions well (reaction temperature, metal ion, and even inorganic counteranion)

  DOI：

  10.1021/cg100200b

文献信息

• Metal-Involved Solvothermal Interconversions of Pyrazinyl Substituted Azole Derivatives: Controllability and Mechanism
  作者：Cheng-Peng Li、Xiao-Hu Zhao、Xu-Dong Chen、Qian Yu、Miao Du

  DOI：10.1021/cg100200b

  日期：2010.12.1

  Under different solvothermal reaction conditions I (60 degrees C for 48 h) and II (140 degrees C for 72 h) the dipyrazinyl compounds beating oxadiazole and triazole spacers that is 2 5-bis(2-pyrazinyl)-1 3 4-oxadiazole (L-1) and 4-amino-3 5 bis(2-pyrazinyl)-1,2,4-triazole (L-2), may suffer reversible conversions in the presence of certain metal salts Other related derivatives such as 3,5-bis(2-pyrazinyl)-1,2 4-triazole 4-yl-N-pyrazinamide (HL4) and pyrazine-2-carboxylic acid (HL0) can also be (In situ) obtained from L-1 and L-2, respectively, under conditions I and II Beyond this N N'-bis(2 pyrazinoamide) (H2L3) can be in situ afforded from both precursors L-1 and L-2, and thus, may be considered as the potential intermediate during the interconversions The possible mechanisms and influence factors of these reactions have also been established based on the experimental results As a result, a variety of crystalline materials (co-crystals and coordination complexes) with attractive supramolecular architectures have been isolated by regulating the reaction conditions well (reaction temperature, metal ion, and even inorganic counteranion)
• Anion-induced assembly of two distinct copper(II) coordination polymers with a versatile multidentate N-donor ligand
  作者：Na Wu、Jian-Hua Guo、Jing Chen

  DOI：10.1007/s11243-013-9715-7

  日期：2013.8

  Reaction of a ligand N-(3,5-di-2-pyrazinyl-4H-1,2,4-triazol-4-yl)-2-pyrazinecarboxamide (Hpztp) with CuSO4 and Cu(acac)2 (acac = acetylacetonate), respectively, yields two distinct CuII coordination polymers [Cu3(pztp)2(SO4)2(H2O)2]·3H2O}n and [Cu(pztp)(acac)]·0.5H2O}n. Both complexes have been structurally determined and also characterized by physicochemical and spectroscopic methods. The results

  配体 N-(3,5-di-2-pyrazinyl-4H-1,2,4-triazol-4-yl)-2-pyrazinecarboxamide (Hpztp) 与 CuSO4 和 Cu(acac)2（acac = 乙酰丙酮化物）的反应)，分别产生两种不同的 CuII 配位聚合物 [Cu3(pztp)2(SO4)2(H2O)2]·3H2O}n 和 [Cu(pztp)(acac)]·0.5H2O}n。两种配合物都已在结构上确定，并通过物理化学和光谱方法进行表征。结果表明，通过使用不同的阴离子（SO42− 与 acac−），所得配位结构的维数（从 2D 到 1D）以及 pztp 配体的构象和结合​​方式都发生了显着变化。也就是说，阴离子的选择将在诱导结晶材料的形成中起关键作用。两种配合物的热稳定性也得到了探索和讨论。