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:	104
	Name:	3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 8-Azaadenine
	Labels:
	CAS:	1123-54-2
	InChi Code:	InChI=1S/C4H4N6/c5-3-2-4(7-1-6-3)9-10-8-2/h1H,(H3,5,6,7,8,9,10)

Properties

M17.logKow: The octanol-water partition coefficient as log(Kow)

Value	Source or prediction
-0.96	experimental value
-1.4181	Tab2.Model_17: (B)TAZ logKow (Training set)

M18.MP: Melting point [°C]

Value	Source or prediction
300	experimental value
232.3649	Tab2.Model_18: (B)TAZ melting point (Training set)