Azaheterocycles are considered privileged structures that currently experiencing a renewed interest in medicinal chemistry, opto-electronics, agrochemicals, etc. As part of our ongoing research concerning chemistry and properties of azaheterocycles we present here some core results obtained by our group within this field, a particularly attention being given to the so called smart molecules or molecules with multiple tasks. In this respect, some target five and six member ring azaheterocycles was synthesized and tested for their potential applications as anticancer (G-quadruplex including) and antimycobacterial agents, fluorescent sensors, logic gates and molecular computers.