1-methyl[1]benzopyrano[3,4-d][1,2,3]triazol-4(1H)-one
Chemical Structure Depiction of
1-methyl[1]benzopyrano[3,4-d][1,2,3]triazol-4(1H)-one
1-methyl[1]benzopyrano[3,4-d][1,2,3]triazol-4(1H)-one
Compound characteristics
| Compound ID: | 3950-0001 |
| Compound Name: | 1-methyl[1]benzopyrano[3,4-d][1,2,3]triazol-4(1H)-one |
| Molecular Weight: | 201.18 |
| Molecular Formula: | C10 H7 N3 O2 |
| Smiles: | Cn1c2c3ccccc3OC(c2nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8011 |
| logD: | 0.8011 |
| logSw: | -1.9554 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.885 |
| InChI Key: | JUSNZKDDCOZCJT-UHFFFAOYSA-N |