1-(3-chloroadamantan-1-yl)-5-methyl-3-nitro-1H-1,2,4-triazole
Chemical Structure Depiction of
1-(3-chloroadamantan-1-yl)-5-methyl-3-nitro-1H-1,2,4-triazole
1-(3-chloroadamantan-1-yl)-5-methyl-3-nitro-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8013-3585 |
| Compound Name: | 1-(3-chloroadamantan-1-yl)-5-methyl-3-nitro-1H-1,2,4-triazole |
| Molecular Weight: | 296.75 |
| Molecular Formula: | C13 H17 Cl N4 O2 |
| Smiles: | Cc1nc(nn1C12CC3CC(C1)CC(C3)(C2)[Cl])[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0016 |
| logD: | 3.0016 |
| logSw: | -3.4444 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.938 |
| InChI Key: | QBHAJUNYMWMAEH-UHFFFAOYSA-N |