N-butyl-2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Chemical Structure Depiction of
N-butyl-2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
N-butyl-2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Compound characteristics
| Compound ID: | D245-0133 |
| Compound Name: | N-butyl-2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
| Molecular Weight: | 315.8 |
| Molecular Formula: | C16 H18 Cl N5 |
| Smiles: | CCCCNc1cc(C)nc2nc(c3ccc(cc3)[Cl])nn12 |
| Stereo: | ACHIRAL |
| logP: | 4.3698 |
| logD: | 4.2905 |
| logSw: | -4.5142 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.275 |
| InChI Key: | JEHZMIKXXYRGAD-UHFFFAOYSA-N |