Comparative findings of the experimental and quantum-chemical studies of the structures including Intramolecular H-Bond ((OHN)-N-... or (NHN)-N-...) with the endocyclic (A) and exocyclic (B) nitrogen atom have been obtained. The photochromic properties are shown only in the structures of B-type favorable for the diabatic formation of the metastable photocolored structure. The molecules of the A-type reveal the thermochromism and/or fluorescence with the Anomalous Stokes Shift.