ethyl 2-[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-1,2,3,4-tetrazine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-1,2,3,4-tetrazine-5-carboxylate
ethyl 2-[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-1,2,3,4-tetrazine-5-carboxylate
Compound characteristics
| Compound ID: | 8017-9895 |
| Compound Name: | ethyl 2-[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-1,2,3,4-tetrazine-5-carboxylate |
| Molecular Weight: | 333.35 |
| Molecular Formula: | C13 H19 N9 O2 |
| Smiles: | CCOC(C1=CNN(c2nc(N)nc(n2)N2CCCCC2)N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4693 |
| logD: | 2.4693 |
| logSw: | -2.5462 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.723 |
| InChI Key: | NANYFPQLGJZJCH-UHFFFAOYSA-N |