10967/177 - QDB Compounds

QsarDB Repository

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:169
Name:6-methoxy-4-methyl-1,2-dihydro-1,3,5-triazin-2-imine
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Methoxy-6-methyl-1,3,5-triazin-2-amine
Labels:
CAS:
InChi Code:InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)

Properties

M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]

ValueSource or prediction
2.85

experimental value

2.9714

Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set)