4-amino-3-[(2H-1,3-benzodioxol-5-yl)amino]-6-tert-butyl-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
4-amino-3-[(2H-1,3-benzodioxol-5-yl)amino]-6-tert-butyl-1,2,4-triazin-5(4H)-one
4-amino-3-[(2H-1,3-benzodioxol-5-yl)amino]-6-tert-butyl-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | 8013-2358 |
| Compound Name: | 4-amino-3-[(2H-1,3-benzodioxol-5-yl)amino]-6-tert-butyl-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 303.32 |
| Molecular Formula: | C14 H17 N5 O3 |
| Smiles: | CC(C)(C)C1C(N(C(Nc2ccc3c(c2)OCO3)=NN=1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.409 |
| logD: | 2.4045 |
| logSw: | -3.0658 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.73 |
| InChI Key: | OMWGMBIFMJUVLE-UHFFFAOYSA-N |