2-methylpropyl N-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-beta-alaninate
Chemical Structure Depiction of
2-methylpropyl N-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-beta-alaninate
2-methylpropyl N-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-beta-alaninate
Compound characteristics
| Compound ID: | 1683-6564 |
| Compound Name: | 2-methylpropyl N-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-beta-alaninate |
| Molecular Weight: | 256.26 |
| Molecular Formula: | C10 H16 N4 O4 |
| Smiles: | CC(C)COC(CCNC1C(NC(NN=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1675 |
| logD: | -1.8309 |
| logSw: | -1.2827 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.36 |
| InChI Key: | KSPFSTBUTPKBTH-UHFFFAOYSA-N |