2-Ethyl-3-methoxypyrazine
PubChem CID: 33135
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| Compound Synonyms | 2-ETHYL-3-METHOXYPYRAZINE, 25680-58-4, 2-Methoxy-3-ethylpyrazine, Pyrazine, 2-ethyl-3-methoxy-, 3-ethyl-2-methoxypyrazine, UNII-ZBM5LD0WE9, ZBM5LD0WE9, 2-Ethyl-3-methoxy-pyrazine, Pyrazine, 3-ethyl-2-methoxy, EINECS 247-184-0, MFCD00006129, DTXSID1067124, FEMA NO. 3280, 2-ETHYL-3-METHOXY-, CHEMBL328465, SCHEMBL1607631, DTXCID0037360, CHEBI:193648, 2-Ethyl-3-methoxypyrazine, 99%, AC7777, AKOS006222986, DS-14874, SY032230, 2-Ethyl-3-methoxypyrazine, >=99%, FG, DB-046757, CS-0152548, NS00021949, A817971, Q27295282, 247-184-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 35.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Pyrazine and Piperazine alkaloids |
| Deep Smiles | COcnccnc6CC |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Diazines |
| Description | Constituent of potato and wine must. Flavour enhancer for dehydrated potato. Component of *FEMA 3280*. 3-Ethyl-2-methoxypyrazine is found in alcoholic beverages and potato. |
| Scaffold Graph Node Level | C1CNCCN1 |
| Classyfire Subclass | Pyrazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 97.6 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethyl-3-methoxypyrazine |
| Class | Diazines |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.8 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Pyrazines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H10N2O |
| Scaffold Graph Node Bond Level | c1cnccn1 |
| Inchi Key | DPCILIMHENXHQX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-Ethyl-3-methoxy-pyrazine, 2-Ethyl-3-methoxypyrazine, 2-Methoxy-3-ethylpyrazine, 3-Ethyl-2-methoxypyrazine, Pyrazine, 2-ethyl-3-methoxy-, Pyrazine, 3-ethyl-2-methoxy, 2-alkyl-3-methoxypyrazine |
| Esol Class | Soluble |
| Functional Groups | cOC, cnc |
| Compound Name | 2-Ethyl-3-methoxypyrazine |
| Kingdom | Organic compounds |
| Exact Mass | 138.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 138.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H10N2O/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H3 |
| Smiles | CCC1=NC=CN=C1OC |
| Np Classifier Biosynthetic Pathway | Alkaloids, Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Methoxypyrazines |
| Np Classifier Superclass | Tetramate alkaloids, Peptide alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Arctium Lappa (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279