Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	37
	Name:	5-ethyl-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Ametoctradin
	Labels:
	CAS:	865318-97-4
	InChi Code:	InChI=1S/C15H25N5/c1-3-5-6-7-8-9-10-12-13(4-2)19-15-17-11-18-20(15)14(12)16/h11H,3-10,16H2,1-2H3

Properties

M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]

Value	Source or prediction
3.99	experimental value
3.4008	Tab2.Model_22: (B)TAZ D.magna EC50 (Training set)