methyl N-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-beta-alaninate
Chemical Structure Depiction of
methyl N-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-beta-alaninate
methyl N-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-beta-alaninate
Compound characteristics
| Compound ID: | 1682-3389 |
| Compound Name: | methyl N-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-beta-alaninate |
| Molecular Weight: | 214.18 |
| Molecular Formula: | C7 H10 N4 O4 |
| Smiles: | COC(CCNC1C(NC(NN=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -1.541 |
| logD: | -3.2044 |
| logSw: | -0.6895 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.405 |
| InChI Key: | VDJDWSLQEPVOGI-UHFFFAOYSA-N |