3-[(2H-1,3-benzodioxol-5-yl)amino]-6-methyl-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)amino]-6-methyl-1,2,4-triazin-5(4H)-one
3-[(2H-1,3-benzodioxol-5-yl)amino]-6-methyl-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0148 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)amino]-6-methyl-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 246.22 |
| Molecular Formula: | C11 H10 N4 O3 |
| Smiles: | CC1C(NC(Nc2ccc3c(c2)OCO3)=NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6761 |
| logD: | 1.6737 |
| logSw: | -2.325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.412 |
| InChI Key: | BRRGQTSRKFFKNX-UHFFFAOYSA-N |