4-amino-3,5-di-2-pyridyl-4H-1,2,4-triazole | 223645-71-4

• 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: 4-amino-3,5-di-2-pyridyl-4H-1,2,4-triazole
• 英文别名: 4-amino-3,5-bis(2-pyrazinyl)-1,2,4-triazole；3,5-di(2-pyrazinyl)-4H-1,2,4-triazol-4-ylamine；3,5-di(pyrazin-2-yl)-1,2,4-triazol-4-amine
• CAS: 223645-71-4
• 化学式: C₁₀H₈N₈
• 分子量: 240.227
• InChiKey: GRLYZUZCKLCCCB-UHFFFAOYSA-N

物化性质

• 沸点：
  572.7±60.0 °C(Predicted)
• 密度：
  1.66±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1,1'-bis(chlorocarbonyl)cobalticinium hexafluorophosphate 、 4-amino-3,5-di-2-pyridyl-4H-1,2,4-triazole 在 triethyl amine 作用下， 以 乙腈 为溶剂， 生成 1-(4-amino-3,5-di-2-pyridyl-4H-1,2,4-triazylcarnonyl)-1'-(carboxylic acid)cobaltocenium hexafluorophosphate monohydrate
  参考文献：
  名称：

  用于分子晶体工程的新型有机金属砌块。第4部分。[Co（III）（eta5-C5H4COOH）2] +的单酰胺基和双酰胺基衍生物的合成，表征及其作为配体的利用。

  摘要：

  取代的双酰胺基分子配合物[Co（III）（eta5-C5H4CONHC4H3N2）2] +（1），[Co（III）（eta5-C5H4CONHCH2C5H4N）2] +（2）的六氟磷酸盐的合成和结构表征，[Co（III）（eta5-C5H4CON（C5H4N）2）2] +（3）和酰胺基-羧基配合物[Co（III）（eta5-C5H4CON（C5H4N）2）（eta5-C5H4COOH）] + （4）和[Co（III）（eta5-C5H4CONHC2N3（C5H4N）2）（eta5-C5H4COOH）] +（5）被报道。选择三明治芯上的吡啶基和吡嗪取代的酰胺基配体是因为它们既允许与金属中心的配位又允许氢键的参与。已经研究了由固态络合物家族建立的氢键相互作用。报道了利用配合物5制备配合物[Cd（NO3）2 {Co（III）（eta5-C5H4CONHC2N3（C5H4N）（C5H4NH））（eta5-C5H4COOH）}

  DOI：

  10.1039/b505521k
• 作为产物：
  描述：

  2,5-二(吡嗪-2-基)-1,3,4-恶二唑 在 zinc(II) nitrate hexahydrate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以42%的产率得到4-amino-3,5-di-2-pyridyl-4H-1,2,4-triazole
  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

• A simple one step synthesis of new 3,5-disubstituted-4-amino-1,2,4-triazoles
  作者：Fouad Bentiss、Michel Lagrenée、Michel Traisnel、Bouchaib Mernari、Hassan Elattari

  DOI：10.1002/jhet.5570360123

  日期：1999.1

  by the reaction of aromatic nitriles with hydrazine dihydrochloride or sulfate with an excess of hydrazine hydrate in ethyl ene or diethylene glycol under a nitrogen atmosphere. The structures of the new triazoles derivatives were confirmed by analytical and spectral data.

  在氮气氛下，在乙烯或二甘醇中，芳族腈与二盐酸肼或硫酸盐与过量的水合肼反应，制得了许多对称的3,5-二取代的4-氨基-1,2,4-三唑。 。通过分析和光谱数据证实了新的三唑衍生物的结构。
• Novel organometallic building blocks for molecular crystal engineering. Part 4. Synthesis and characterization of mono- and bis-amido derivatives of [CoIII(η5-C5H4COOH)2]+ and their utilization as ligands
  作者：Dario Braga、Marco Polito、Stefano L. Giaffreda、Fabrizia Grepioni

  DOI：10.1039/b505521k

  日期：——

  The synthesis and structural characterization of the hexafluorophosphate salts of the substituted bis-amido molecular complexes [Co(III)(eta5-C5H4CONHC4H3N2)2]+ (1), [Co(III)(eta5-C5H4CONHCH2C5H4N)2]+ (2), [Co(III)(eta5-C5H4CON(C5H4N)2)2]+ (3), and of the amido-carboxyl complexes [Co(III)(eta5-C5H4CON(C5H4N)2)(eta5-C5H4COOH)]+ (4), and [Co(III)(eta5-C5H4CONHC2N3(C5H4N)2)(eta5-C5H4COOH)]+ (5) are reported

  取代的双酰胺基分子配合物[Co（III）（eta5-C5H4CONHC4H3N2）2] +（1），[Co（III）（eta5-C5H4CONHCH2C5H4N）2] +（2）的六氟磷酸盐的合成和结构表征，[Co（III）（eta5-C5H4CON（C5H4N）2）2] +（3）和酰胺基-羧基配合物[Co（III）（eta5-C5H4CON（C5H4N）2）（eta5-C5H4COOH）] + （4）和[Co（III）（eta5-C5H4CONHC2N3（C5H4N）2）（eta5-C5H4COOH）] +（5）被报道。选择三明治芯上的吡啶基和吡嗪取代的酰胺基配体是因为它们既允许与金属中心的配位又允许氢键的参与。已经研究了由固态络合物家族建立的氢键相互作用。报道了利用配合物5制备配合物[Cd（NO3）2 Co（III）（eta5-C5H4CONHC2N3（C5H4N）（C5H4NH））（eta5-C5H4COOH）}
• 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)