Cassani, Stefano published the artcileDaphnia and fish toxicity of (benzo)triazoles: Validated QSAR models, and interspecies quantitative activity-activity modeling, Computed Properties of 53817-16-6, the publication is Journal of Hazardous Materials (2013), 50-60, database is CAplus and MEDLINE.
Due to their chem. properties synthetic triazoles and benzo-triazoles ((B)TAZs) are mainly distributed to the water compartments in the environment, and because of their wide use the potential effects on aquatic organisms are cause of concern. Non testing approaches like those based on quant. structure-activity relationships (QSARs) are valuable tools to maximize the information contained in existing exptl. data and predict missing information while minimizing animal testing. Externally validated QSAR models for the prediction of acute (B)TAZs toxicity in Daphnia magna and Oncorhynchus mykiss have been developed according to the principles for the validation of QSARs and their acceptability for regulatory purposes, proposed by the Organization for Economic Co-operation and Development (OECD). These models are based on theor. mol. descriptors, and are statistically robust, externally predictive and characterized by a verifiable structural applicability domain. They were applied to predict acute toxicity for >300 (B)TAZs without exptl. data, many of which are in the pre-registration list of the REACH regulation. A model based on quant. activity-activity relationships (QAAR) has been developed, which allows for interspecies extrapolation from daphnids to fish. The importance of QSAR/QAAR, especially when dealing with specific chem. classes like (B)TAZs, for screening and prioritization of pollutants under REACH, has been highlighted.
Journal of Hazardous Materials published new progress about 53817-16-6. 53817-16-6 belongs to triazoles, auxiliary class Triazoles, name is 1H-1,2,3-Triazole-4,5-dicarbonitrile, and the molecular formula is C4HN5, Computed Properties of 53817-16-6.
Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics