3-(3-nitro-1-propyl-1H-pyrazol-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Chemical Structure Depiction of
3-(3-nitro-1-propyl-1H-pyrazol-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
3-(3-nitro-1-propyl-1H-pyrazol-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Compound characteristics
| Compound ID: | Y507-4603 |
| Compound Name: | 3-(3-nitro-1-propyl-1H-pyrazol-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine |
| Molecular Weight: | 290.32 |
| Molecular Formula: | C13 H18 N6 O2 |
| Smiles: | CCCn1cc(c(n1)[N+]([O-])=O)c1nnc2CCCCCn12 |
| Stereo: | ACHIRAL |
| logP: | 1.3995 |
| logD: | 1.3995 |
| logSw: | -1.7636 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.109 |
| InChI Key: | HGVVZMQWBXDXMO-UHFFFAOYSA-N |