propyl N-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-beta-alaninate
Chemical Structure Depiction of
propyl N-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-beta-alaninate
propyl N-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-beta-alaninate
Compound characteristics
| Compound ID: | 1682-3393 |
| Compound Name: | propyl N-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-beta-alaninate |
| Molecular Weight: | 242.23 |
| Molecular Formula: | C9 H14 N4 O4 |
| Smiles: | CCCOC(CCNC1C(NC(NN=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.6854 |
| logD: | -2.3488 |
| logSw: | -0.8096 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.279 |
| InChI Key: | VCZQWSADHCHDGO-UHFFFAOYSA-N |