propan-2-yl N-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-beta-alaninate
Chemical Structure Depiction of
propan-2-yl N-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-beta-alaninate
propan-2-yl N-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-beta-alaninate
Compound characteristics
| Compound ID: | 1683-6563 |
| Compound Name: | propan-2-yl 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: | CC(C)OC(CCNC1C(NC(NN=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.7963 |
| logD: | -2.4597 |
| logSw: | -1.0834 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.663 |
| InChI Key: | QEECNHRKBOSUAD-UHFFFAOYSA-N |