Triazole demonstrates distinctive physicochemical properties, characterized by weak basicity, various dipole moments, and significant dual hydrogen bond acceptor and donor capabilities. These features are poised to play a pivotal role in drug–target interactions. The inherent polarity of triazole contributes to its lower logP, suggesting the potential improvement in water solubility. The metabolic stability of triazole adds additional value to drug discovery. Moreover, the metal-binding capacity of the nitrogen atom lone pair electrons of triazole has broad applications in the development of metal chelators and antifungal agents. This Perspective aims to underscore the unique physicochemical attributes of triazole and its application. A comparative analysis involving triazole isomers and other heterocycles provides guiding insights for the subsequent design of triazoles, with the hope of offering valuable considerations for designing other heterocycles in medicinal chemistry.

中文翻译：

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药物化学中的三唑：理化性质、生物电子等排性和应用


三唑表现出独特的物理化学性质，其特点是弱碱性、各种偶极矩以及显着的双氢键受体和供体能力。这些特征有望在药物与靶标相互作用中发挥关键作用。三唑的固有极性导致其较低的 logP，表明水溶性的潜在改善。三唑的代谢稳定性为药物发现增加了附加价值。此外，三唑氮原子孤对电子的金属结合能力在金属螯合剂和抗真菌剂的开发中具有广泛的应用。本视角旨在强调三唑独特的理化属性及其应用。三唑异构体与其他杂环的比较分析为后续三唑的设计提供了指导性的见解，也希望为药物化学中其他杂环的设计提供有价值的考虑。