6-bromo-3-[(2-hydroxyethoxy)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Chemical Structure Depiction of
6-bromo-3-[(2-hydroxyethoxy)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
6-bromo-3-[(2-hydroxyethoxy)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Compound characteristics
| Compound ID: | 2111-0113 |
| Compound Name: | 6-bromo-3-[(2-hydroxyethoxy)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one |
| Molecular Weight: | 303.11 |
| Molecular Formula: | C9 H11 Br N4 O3 |
| Smiles: | [H]OCCOCN1C=NN2C1=NC(C)=C(C2=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | -1.1007 |
| logD: | -1.1208 |
| logSw: | -0.1316 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.223 |
| InChI Key: | SKBCVZRMNXYPFI-UHFFFAOYSA-N |