3-[2-(aminomethyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-[2-(aminomethyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide--hydrogen chloride (1/1)
3-[2-(aminomethyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C908-0545 |
| Compound Name: | 3-[2-(aminomethyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 448.95 |
| Molecular Formula: | C21 H28 N6 O3 |
| Salt: | HCl |
| Smiles: | Cc1c(CCC(NCCc2ccc(c(c2)OC)OC)=O)c(C)n2c(n1)nc(CN)n2 |
| Stereo: | ACHIRAL |
| logP: | -0.5976 |
| logD: | -2.2751 |
| logSw: | -1.7938 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.329 |
| InChI Key: | ONXOIAAVRUZNPK-UHFFFAOYSA-N |