2-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
2-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]phthalazin-1(2H)-one
2-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 7832-0165 |
| Compound Name: | 2-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]phthalazin-1(2H)-one |
| Molecular Weight: | 273.31 |
| Molecular Formula: | C12 H11 N5 O S |
| Smiles: | Cn1c(CN2C(c3ccccc3C=N2)=O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | -0.1608 |
| logD: | -0.5853 |
| logSw: | -2.3279 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.035 |
| InChI Key: | IIVXJFLMHILXAK-UHFFFAOYSA-N |