3,5-Diethyl-2-methylpyrazine
PubChem CID: 28906
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| Compound Synonyms | 3,5-DIETHYL-2-METHYLPYRAZINE, 18138-05-1, 3,5-diethyl-2-methyl pyrazine, 2-Methyl-3,5-diethylpyrazine, Pyrazine, 3,5-diethyl-2-methyl-, 2,6-Diethyl-3-methylpyrazine, UNII-7JG7NP41LF, 7JG7NP41LF, 2,6-Diethyl-5-methylpyrazine, Pyrazine, 3,5-diethyl-2-methyl- (8CI,9CI), 3,5-DIETHYL-2-METHYL-PYRAZINE, FEMA NO. 3916, FEMA 3916, DTXSID70171130, 3,5-DIETHYL-5-METHYLPYRAZINE, 2-METHYL-3,5-DIETHYL-1,4-DIAZINE, 3,5-DIETHYL-2-METHYLPYRAZINE [FHFI], SCHEMBL293166, DTXCID6093621, CHEBI:193680, AKOS006291469, DB-117077, NS00123564, G63470, Q27268410, 639-034-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 25.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Pyrazine and Piperazine alkaloids |
| Deep Smiles | CCccnccn6)CC)))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Diazines |
| Description | Found in potato, chicken, beef and pork, tea, coffee, galbanum oil and other foods. Flavouring agent |
| Scaffold Graph Node Level | C1CNCCN1 |
| Classyfire Subclass | Pyrazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 114.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-diethyl-2-methylpyrazine |
| Class | Diazines |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.8 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Pyrazines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H14N2 |
| Scaffold Graph Node Bond Level | c1cnccn1 |
| Inchi Key | MRWLZECVHMHMGI-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-Methyl-3,5-diethylpyrazine, 2,6-Diethyl-3-methylpyrazine, 2,6-Diethyl-5-methylpyrazine, 3,5-Diethyl-2-methyl-pyrazine, FEMA 3916, Pyrazine, 3,5-diethyl-2-methyl-, diethyl-methylpyrazinea |
| Esol Class | Soluble |
| Functional Groups | cnc |
| Compound Name | 3,5-Diethyl-2-methylpyrazine |
| Kingdom | Organic compounds |
| Exact Mass | 150.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.116 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.22 |
| 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/C9H14N2/c1-4-8-6-10-7(3)9(5-2)11-8/h6H,4-5H2,1-3H3 |
| Smiles | CCC1=CN=C(C(=N1)CC)C |
| Np Classifier Biosynthetic Pathway | Alkaloids, Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Pyrazines |
| Np Classifier Superclass | Tetramate alkaloids, Peptide alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699369