1-(4-amino-1,2,5-oxadiazol-3-yl)-7,7-dimethyl-1,5,6,7-tetrahydro-4H-benzotriazol-4-one
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-7,7-dimethyl-1,5,6,7-tetrahydro-4H-benzotriazol-4-one
1-(4-amino-1,2,5-oxadiazol-3-yl)-7,7-dimethyl-1,5,6,7-tetrahydro-4H-benzotriazol-4-one
Compound characteristics
| Compound ID: | 8006-5051 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-7,7-dimethyl-1,5,6,7-tetrahydro-4H-benzotriazol-4-one |
| Molecular Weight: | 248.24 |
| Molecular Formula: | C10 H12 N6 O2 |
| Smiles: | CC1(C)CCC(c2c1n(c1c(N)non1)nn2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3475 |
| logD: | 1.3475 |
| logSw: | -1.1744 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.229 |
| InChI Key: | IMCHKGVDTQRYNV-UHFFFAOYSA-N |