Katritzky, Alan R. published the artcileAromaticity as a quantitative concept. 4. Less familiar five- and six-membered monocyclic heterocycles, Related Products of triazoles, the publication is Journal fuer Praktische Chemie (Leipzig) (1990), 332(6), 885-97, database is CAplus.
An addnl. set of 23 monoheterocycles was subjected to AM1 calculations, and the characteristics thus determined, together with available exptl. data were treated by PC anal. Utilizing characteristic loadings previously determined for other monoheterocycles, scores for the 23 monoheterocycles were deduced. The new scores correlate well with those previously found and with the chem. nature of the heterocycles. The dominant influence on the t1 is the nature of the heteroatoms present, whereas the dominant influence on t2 is the number of heteroatoms present. Pyridine-like nitrogen atoms have relatively little effect on classical aromaticity. Five-membered rings are less aromatic than six-membered, the presence of an oxygen atom has a particularly aromaticity-reducing effect, and the effect of sulfur is much less than oxygen and only a little more than nitrogen. The predictive power for the present compounds is limited by the relative paucity of and some problems with the input data but succeeds well for some parameters.
Journal fuer Praktische Chemie (Leipzig) published new progress about 63598-71-0. 63598-71-0 belongs to triazoles, auxiliary class Triazole, name is 4H-1,2,4-Triazole, and the molecular formula is C2H3N3, Related Products of triazoles.
Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics