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: | 1855 | |
|---|---|---|
| Name: | 5,6-dimethyl-3,4-dihydro-1,2,4-triazin-3-imine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Amino-5,6-dimethyl- 1,2,4-triazine | |
| Labels: | ||
| CAS: | 17584-12-2 | |
| InChi Code: | InChI=1S/C5H8N4/c1-3-4(2)8-9-5(6)7-3/h1-2H3,(H2,6,7,9) |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 2.12 |
experimental value |
| 2.033 |
Tab2.Model_1: P. promelas LC50 (Training set) |