2,5-Dimethyl-3-methoxypyrazine
PubChem CID: 586728
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| Compound Synonyms | 3-Methoxy-2,5-dimethylpyrazine, 19846-22-1, Pyrazine, 3-methoxy-2,5-dimethyl-, 2,5-dimethyl-3-methoxypyrazine, MFCD28162737, 2-METHOXY-3,6-DIMETHYLPYRAZINE,3-METHOXY-2,5-DIMETHYLPYRAZINE, 3-methoxyl-2,5-dimethylpyrazine, DMMP compound, CHEMBL94628, SCHEMBL4497174, AKOS026673956, DS-9921, SY126415, CS-0012597, Y10564 |
|---|---|
| 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 | COcncC)cnc6C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Diazines |
| Description | Flavouring compound [Flavornet] |
| Scaffold Graph Node Level | C1CNCCN1 |
| Classyfire Subclass | Pyrazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 108.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methoxy-2,5-dimethylpyrazine |
| Class | Diazines |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.8 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Pyrazines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H10N2O |
| Scaffold Graph Node Bond Level | c1cnccn1 |
| Inchi Key | QYRGVELVPYDICQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2,5-Dimethyl-3-methoxypyrazine, DMMP Compound, 3-methoxy-2,5-dimethylpyrazine |
| Esol Class | Very soluble |
| Functional Groups | cOC, cnc |
| Compound Name | 2,5-Dimethyl-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/c1-5-4-8-6(2)7(9-5)10-3/h4H,1-3H3 |
| Smiles | CC1=CN=C(C(=N1)OC)C |
| 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 Premna Serratifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700905