Amel Messai2024-02-182024-02-182016-09-21http://dspace.univ-khenchela.dz:4000/handle/123456789/1497New five unsymmetrically substituted 1,3,5-triazacyclohexanes compounds, carrying aliphatic as well as aromatic substituent, were synthesized and structural analyses were performed by FTIR, 1H NMR and single crystal X-ray techniques. Experimental research was complemented by quantum mechanical calculations. The present triazacyclohexane rings adopt a chair conformation by both R1 substituents in axial positions and R2 group in an equatorial form. Further, all compounds were screened for their antibacterial and anti-fungal properties. By revealing further insight into triazacyclohexanes systems, the data theoretically predicted and experimentally obtained in current research may be helpful guide for the medicinal chemists.enArticle