It has a linear molecular structure, N≡C−C≡C−C≡N (often abbreviated as NC4N), with alternating triple and single covalent bonds.

[1] Dicyanoacetylene can be prepared by passing nitrogen gas over a sample of graphite heated to temperatures between 2,673 and 3,000 K (2,400 and 2,727 °C; 4,352 and 4,940 °F).

[4] As the seasons change on Titan, the compound condenses and evaporates in a cycle, which allows scientists on Earth to study Titanian meteorology.

As of 2006[update], the detection of dicyanoacetylene in the interstellar medium has been impossible, because its symmetry means it has no rotational microwave spectrum.

However, similar asymmetric molecules like cyanoacetylene have been observed, and its presence in those environments is therefore suspected.