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: | 001455-77-2 | |
|---|---|---|
| Name: | 1H-1,2,4-Triazole-3,5-diamine | |
| Description: | InChI code and name were downloaded from http://cactus.nci.nih.gov | |
| Labels: | ||
| CAS: | 1455-77-2 | |
| InChi Code: | InChI=1S/C2H5N5/c3-1-5-2(4)7-6-1/h(H5,3,4,5,6,7) |
Properties
MP: Melting point [°C]
| Value | Source or prediction |
|---|---|
| 205 |
experimental value |
| 194.33 |
Eq4: Model for melting point (Training set) |
logKow: Octanol/water partition coefficient as logKow
| Value | Source or prediction |
|---|---|
| -1.61 |
experimental value |
| -1.75 |
Eq2: Model for octanol/water partition coefficient (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0025367 | US EPA CompTox Dashboard |