N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]propanamide
Chemical Structure Depiction of
N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]propanamide
N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]propanamide
Compound characteristics
| Compound ID: | S345-0250 |
| Compound Name: | N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]propanamide |
| Molecular Weight: | 256.3 |
| Molecular Formula: | C14 H16 N4 O |
| Smiles: | CCC(Nc1cccc(c1)c1nnc2CCCn12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9027 |
| logD: | 1.7865 |
| logSw: | -2.6187 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.447 |
| InChI Key: | IRADAXBDPKLPRV-UHFFFAOYSA-N |