2-{[(4-chlorophenyl)methyl]amino}-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]amino}-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
2-{[(4-chlorophenyl)methyl]amino}-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Compound characteristics
| Compound ID: | D043-0206 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]amino}-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(NCc3ccc(cc3)[Cl])nn1C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.3405 |
| logD: | 2.33 |
| logSw: | -3.3435 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.577 |
| InChI Key: | NEPRQKDRCUUQAE-UHFFFAOYSA-N |