Andrianov, V. G. published the artcileDependence of the reactivity of five-membered heterocycles on their structure. 3. Proton affinity of azoles and oxazoles, SDS of cas: 63598-71-0, the publication is Khimiya Geterotsiklicheskikh Soedinenii (1989), 508-11, database is CAplus.
Predictions of proton affinity of azoles and oxazoles with the economical STO-3G basis differ little from those using an expanded 6-31** basis and CI, and correlate with exptl. values with identical precision; MNDO gives poorer results. A linear equation correlating proton affinity with pKa of protonated azole tautomers afforded a prediction of -7.64 for the pKa of furazan conjugate acid.
Khimiya Geterotsiklicheskikh Soedinenii 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, SDS of cas: 63598-71-0.
Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics