1-[5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]hexan-1-one
Chemical Structure Depiction of
1-[5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]hexan-1-one
1-[5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]hexan-1-one
Compound characteristics
| Compound ID: | D481-2030 |
| Compound Name: | 1-[5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]hexan-1-one |
| Molecular Weight: | 288.35 |
| Molecular Formula: | C15 H20 N4 O2 |
| Smiles: | CCCCCC(n1c(N)nc(c2ccc(cc2)OC)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0857 |
| logD: | 3.0857 |
| logSw: | -3.1502 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.135 |
| InChI Key: | GIIIXTJIKWPORB-UHFFFAOYSA-N |