2-{[(4-bromophenyl)methyl]amino}-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]amino}-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-bromophenyl)methyl]amino}-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D043-0081 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]amino}-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(NCc3ccc(cc3)[Br])nn2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.6625 |
| logD: | 2.5703 |
| logSw: | -2.9813 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.892 |
| InChI Key: | PKBXSQNEPXTFMK-UHFFFAOYSA-N |