2-Methoxy-3-methylpyrazine
PubChem CID: 17898
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| Compound Synonyms | 2-METHOXY-3-METHYLPYRAZINE, 2847-30-5, Pyrazine, 2-methoxy-3-methyl-, 2-Methyl-3-methoxypyrazine, 2-Methoxy-3-methyl-pyrazine, 2-methoxy-3-methyl pyrazine, Pyrazine, 2-methoxy-3(or 5)-methyl-, Pyrazine, 2-methyl-3-methoxy, 04O7CN9Q85, chocolate pyrazine A, (Methoxy)methylpyrazine, 3-Methoxy-2-methylpyrazine, UNII-04O7CN9Q85, 2-Methoxy-3(or5)-methylpyrazine, EINECS 220-651-6, EINECS 269-881-9, MFCD00006127, SCHEMBL422296, CHEMBL329881, VKJIAEQRKBQLLA-UHFFFAOYSA-, DTXSID80863034, CHEBI:180378, 2-Methoxy-3-methylpyrazine, 99%, AKOS015852303, METHOXY-3-METHYLPYRAZINE, 2-, CS-W016571, AC-16642, AS-31022, DB-003285, M0810, NS00012836, EN300-157679, FEMA NO. 3183, 2-METHYL-3-METHOXY, 2-Methoxy-3-methylpyrazine, >=99%, FCC, FG, FEMA NO. 3280, 2-METHYL-3-METHOXY-, A836123, Q27247662, InChI=1/C6H8N2O/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3 |
|---|---|
| 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 | COcnccnc6C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Diazines |
| Description | Reported in sherry and krill. Flavouring ingredient, especies for coffee. Main component (75%) of *FEMA 3183*, a mixture with its regioisomers. 2-Methoxy-3-methylpyrazine is found in burdock and fenugreek. |
| Scaffold Graph Node Level | C1CNCCN1 |
| Classyfire Subclass | Pyrazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 87.1 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-3-methylpyrazine |
| Class | Diazines |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.2 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Pyrazines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H8N2O |
| Scaffold Graph Node Bond Level | c1cnccn1 |
| Inchi Key | VKJIAEQRKBQLLA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-Methoxy-3-methylpyrazine, Methoxymethylpyrazine, Pyrazine, 2-methyl-3-methoxy, 2-methoxy-3-methylpyrazine |
| Esol Class | Very soluble |
| Functional Groups | cOC, cnc |
| Compound Name | 2-Methoxy-3-methylpyrazine |
| Kingdom | Organic compounds |
| Exact Mass | 124.064 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 124.064 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 124.14 |
| 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/C6H8N2O/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3 |
| Smiles | CC1=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:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:fooddb_chem_all