2-[(4-bromoanilino)methyl]-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-[(4-bromoanilino)methyl]-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-[(4-bromoanilino)methyl]-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1327 |
| Compound Name: | 2-[(4-bromoanilino)methyl]-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 348.2 |
| Molecular Formula: | C14 H14 Br N5 O |
| Smiles: | CC1=C(C)Nc2nc(CNc3ccc(cc3)[Br])nn2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.7263 |
| logD: | 0.6926 |
| logSw: | -3.1111 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.748 |
| InChI Key: | UYZVGJCYBXTIGO-UHFFFAOYSA-N |