Trinitrotriazine

Trinitrotriazine, or 2,4,6-trinitro-1,3,5-triazine, is a theoretical explosive compound.

Synthesis of this compound has been elusive despite its simple structure,[1][2] as conventional nitration of triazine becomes increasingly more difficult as more nitro groups are added.

A successful route would more likely proceed by trimerisation of nitryl cyanide.

[3] The precursor nitryl cyanide was first synthesized by Rahm et al. in 2014.

[4] Trinitrotriazine has a neutral oxygen balance, potentially making it a very powerful explosive, though calculations predict it would be fairly unstable and inferior to the related compound 3,6-dinitro-1,2,4,5-tetrazine.

Skeletal formula of trinitrotriazine
Space-filling model of the trinitrotriazine molecule