5-amino-7-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
5-amino-7-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
5-amino-7-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | 8018-0890 |
| Compound Name: | 5-amino-7-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile |
| Molecular Weight: | 272.69 |
| Molecular Formula: | C12 H9 Cl N6 |
| Smiles: | C(C1C(c2ccc(cc2)[Cl])n2c(NC=1N)ncn2)#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5424 |
| logD: | 1.5422 |
| logSw: | -2.169 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.719 |
| InChI Key: | MXKCTEAOEQNIOY-JTQLQIEISA-N |