2-Methoxy-3-Isobutylpyrazine
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL97355 | |
| PubChem: | 32594 | |
| IUPAC: | 2-methoxy-3-(2-methylpropyl)pyrazine | |
| Standard InChI: | InChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3 | |
| Standard InChI Key: | UXFSPRAGHGMRSQ-UHFFFAOYSA-N | |
| SMILES: | COc1nccnc1CC(C)C | |
Molecular propeties
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| AlogP: | 1.68 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 166.11 | |
| Topological polar surface area: | 35 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.556 | |
| Number of carbons: | 9 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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