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: | 173 | |
|---|---|---|
| Name: | 3H-[1,2,3]triazolo[4,5-d]pyrimidine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 8-Azapurine | |
| Labels: | ||
| CAS: | 273-40-5 | |
| InChi Code: | InChI=1S/C4H3N5/c1-3-4(6-2-5-1)8-9-7-3/h1-2H,(H,5,6,7,8,9) |
Properties
M19.logSw: Water solubility as log(Sw) [log(mg/L)]
| Value | Source or prediction |
|---|---|
| 4.851 |
experimental value |
| 4.4776 |
Tab2.Model_19: (B)TAZ solubility in water (Training set) |