[1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-5-yl]methyl thiocyanate
Chemical Structure Depiction of
[1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-5-yl]methyl thiocyanate
[1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-5-yl]methyl thiocyanate
Compound characteristics
| Compound ID: | 8018-6500 |
| Compound Name: | [1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-5-yl]methyl thiocyanate |
| Molecular Weight: | 223.21 |
| Molecular Formula: | C6 H5 N7 O S |
| Smiles: | C(c1cnnn1c1c(N)non1)SC#N |
| Stereo: | ACHIRAL |
| logP: | 0.4535 |
| logD: | 0.4535 |
| logSw: | -1.0593 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.019 |
| InChI Key: | NSYAYMHPLVVBEM-UHFFFAOYSA-N |