2-[(4-chloroanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Chemical Structure Depiction of
2-[(4-chloroanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
2-[(4-chloroanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Compound characteristics
| Compound ID: | D433-1839 |
| Compound Name: | 2-[(4-chloroanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one |
| Molecular Weight: | 315.76 |
| Molecular Formula: | C15 H14 Cl N5 O |
| Smiles: | C1CC2=C(C1)Nc1nc(CNc3ccc(cc3)[Cl])nn1C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.4042 |
| logD: | 1.3222 |
| logSw: | -3.3143 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.433 |
| InChI Key: | AOMPXZFQMISUBL-UHFFFAOYSA-N |