3-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
3-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,2,4-triazin-5(4H)-one
3-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | 1683-2017 |
| Compound Name: | 3-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 259.22 |
| Molecular Formula: | C11 H9 N5 O3 |
| Smiles: | C1Oc2ccc(/C=N/NC3NC(C=NN=3)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 1.2434 |
| logD: | 1.2375 |
| logSw: | -2.1674 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.017 |
| InChI Key: | QBFITVUERQGGPD-UHFFFAOYSA-N |