7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | 8018-8557 |
| Compound Name: | 7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile |
| Molecular Weight: | 161.12 |
| Molecular Formula: | C6 H3 N5 O |
| Smiles: | C1=C(C#N)C(n2c(N1)ncn2)=O |
| Stereo: | ACHIRAL |
| logP: | -0.6295 |
| logD: | -3.1066 |
| logSw: | -1.2567 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.757 |
| InChI Key: | MSOCXWGXAHHXKE-UHFFFAOYSA-N |