Ueda, Shigeyuki; Amano, Takahumi published the artcile< The pKa calculations of N-heteroaromatic compounds by Hueckel MO method>, Formula: C4H5N3, the main research area is heteroaromatic compound pK HMO; nitrogen heterocycle pK MO; pyridine amino hydroxy MO; pyridazine amino hydroxy MO; pyrimidine amino hydroxy MO; pyrazine amino hydroxy MO; LFER pK nitrogen heteroaromatic.
The HMO energies of pyridine, pyridazine, pyrimidine, pyrazine, and their monamino and monohydroxy derivatives were calculated taking account of σ-polarity. The protonation energies of the ring nitrogens and the dissociation energies of the OH group were evaluated and showed a linear relationship with their pKa values except for compounds showing ortho effects.
Kyushu Sangyo Daigaku Kogakubu Kenkyu Hokoku published new progress about Acidity. 20744-39-2 belongs to class pyridazine, and the molecular formula is C4H5N3, Formula: C4H5N3.
Referemce:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem