Used primarily in research settings as a nucleobase analog, isocytosine plays a role in the study of alternative genetic systems and synthetic biology. It is valuable in the design of artificial base pairs for expanded genetic alphabets, enabling the development of DNA-like molecules with novel functions. Its ability to form specific hydrogen-bonding patterns makes it useful in molecular recognition studies and in the creation of functional nucleic acids for diagnostic and biotechnological applications. Additionally, it serves as an intermediate in the synthesis of certain pharmaceuticals and agrochemicals.