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:	141
	Name:	2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Trazodone
	Labels:
	CAS:	19794-93-5
	InChi Code:	InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2

Properties

M18.MP: Melting point [°C]

Value	Source or prediction
87	experimental value
95.9746	Tab2.Model_18: (B)TAZ melting point (Training set)