1-(4-amino-1,2,5-oxadiazol-3-yl)-1,5,6,7-tetrahydro-4H-benzotriazol-4-one
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-1,5,6,7-tetrahydro-4H-benzotriazol-4-one
1-(4-amino-1,2,5-oxadiazol-3-yl)-1,5,6,7-tetrahydro-4H-benzotriazol-4-one
Compound characteristics
| Compound ID: | 8006-5050 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-1,5,6,7-tetrahydro-4H-benzotriazol-4-one |
| Molecular Weight: | 220.19 |
| Molecular Formula: | C8 H8 N6 O2 |
| Smiles: | C1CC(c2c(C1)n(c1c(N)non1)nn2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3584 |
| logD: | 0.3584 |
| logSw: | -0.0796 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.573 |
| InChI Key: | AWBFSQGGVAXKLN-UHFFFAOYSA-N |