2-[(3-chloro-4-methylanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Chemical Structure Depiction of
2-[(3-chloro-4-methylanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
2-[(3-chloro-4-methylanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Compound characteristics
| Compound ID: | D433-1848 |
| Compound Name: | 2-[(3-chloro-4-methylanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one |
| Molecular Weight: | 329.79 |
| Molecular Formula: | C16 H16 Cl N5 O |
| Smiles: | Cc1ccc(cc1[Cl])NCc1nc2NC3CCCC=3C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0721 |
| logD: | 1.9901 |
| logSw: | -3.4634 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.433 |
| InChI Key: | ZRZAGRXTZPPSEB-UHFFFAOYSA-N |