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:	139
	Name:	[(dimethylamino)(5-imino-3-phenyl-2,5-dihydro-1H-1,2,4-triazol-1-yl)phosphoryl]dimethylamine
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Triamiphos
	Labels:
	CAS:	1031-47-6
	InChi Code:	InChI=1S/C12H19N6OP/c1-16(2)20(19,17(3)4)18-12(13)14-11(15-18)10-8-6-5-7-9-10/h5-9H,1-4H3,(H2,13,14,15)

Properties

M18.MP: Melting point [°C]

Value	Source or prediction
167.5	experimental value
186.8647	Tab2.Model_18: (B)TAZ melting point (Training set)

M19.logSw: Water solubility as log(Sw) [log(mg/L)]

Value	Source or prediction
2.398	experimental value
2.1288	Tab2.Model_19: (B)TAZ solubility in water (Training set)