This paper aims to elucidate the disparity of excited-state lifetimes between 6-and 7protonated azaindoles (6/7-AIH + ) using trajectory surface hopping (TSH) simulations. TSH is a well-known and efficient way of simulating excited-state dynamics, where the nuclear wavepacket on an electronic state is represented by a swarm of independent trajectories classically propagating the nuclear degrees of freedom, and the negative energy gradient of the corresponding electronic state serves as the force acting on the nuclei. A stochastic process dictates whether the trajectory will propagate on the current electronic state or hop to another one at each time step. Such a state switch mainly occurs in regions of strong nonadiabatic coupling. Among various strategies to compute hopping probabilities, we adopted the decoherence-corrected fewest switches surface hopping (DC-FSSH) algorithm, probably the most common and extensively reviewed literature. Despite a few shortcomings, an ensemble of independent DC-FSSH trajectories is expected to provide a reasonable semiquantitative description of a photodynamic process in the sub-picosecond timescale.