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:140
Name:N,N-diethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Trapidil
Labels:
CAS:15421-84-8
InChi Code:InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3

Properties

M18.MP: Melting point [°C]

ValueSource or prediction
100

experimental value

104.215

Tab2.Model_18: (B)TAZ melting point (Training set)