methyl 7-(1-ethyl-1H-pyrazol-4-yl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 7-(1-ethyl-1H-pyrazol-4-yl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
methyl 7-(1-ethyl-1H-pyrazol-4-yl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y501-3131 |
| Compound Name: | methyl 7-(1-ethyl-1H-pyrazol-4-yl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 334.4 |
| Molecular Formula: | C14 H18 N6 O2 S |
| Smiles: | CCn1cc(cn1)C1C(=C(C)Nc2nc(nn12)SC)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5412 |
| logD: | 1.3968 |
| logSw: | -2.2856 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.447 |
| InChI Key: | CYTYQYTYNIDSJG-NSHDSACASA-N |