Bhhatarai, B.; Gramatica, P. Modelling physico-chemical properties of (benzo)triazoles, and screening for environmental partitioning. Water Res. 2011, 45, 3, 1463–1471.
Compound
| ID: | 001123-54-2 | |
|---|---|---|
| Name: | 2H-triazolo[4,5-e]pyrimidin-7-amine | |
| Description: | InChI code and name were downloaded from http://cactus.nci.nih.gov | |
| 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
MP: Melting point [°C]
| Value | Source or prediction |
|---|---|
| 300 |
experimental value |
| 297.72 |
Eq4: Model for melting point (Training set) |
logKow: Octanol/water partition coefficient as logKow
| Value | Source or prediction |
|---|---|
| -0.96 |
experimental value |
| -1.53 |
Eq2: Model for octanol/water partition coefficient (Training set) |