2,3-Diethyl-5-Methylpyrazine
PubChem CID: 28905
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| Compound Synonyms | 2,3-DIETHYL-5-METHYLPYRAZINE, 18138-04-0, Pyrazine, 2,3-diethyl-5-methyl-, hazelnut pyrazine, 2,3-Diethyl-6-methylpyrazine, 5-Methyl-2,3-diethylpyrazine, FEMA No. 3336, 2-Methyl-5,6-diethylpyrazine, UNII-530763R0AP, EINECS 242-024-6, 530763R0AP, 2,3-diethyl-5-methyl-pyrazine, DTXSID6066317, PSINWXIDJYEXLO-UHFFFAOYSA-, METHYL-5,6-DIETHYLPYRAZINE, 2,3-DIETHYL-5-METHYLPYRAZINE [FHFI], MLS000515960, 2,3-Diethyl-6-methylpyrazine, 2-Methyl-5,6-diethylpyrazine, 5-Methyl-2,3-diethylpyrazine, MFCD00009635, SCHEMBL756047, CHEMBL1904383, DTXCID4035754, FEMA 3336, CHEBI:193685, HMS2269E08, 2,3-Diethyl-5-methylpyrazine, 99%, AKOS015838583, CS-W016320, FD35650, NCGC00247002-01, AC-16405, AS-59328, SMR000112429, 2,3-Diethyl-5-methylpyrazine, 99%, FG, DB-019730, D1714, NS00021776, D81788, 2,3-Diethyl-5-methylpyrazine, analytical standard, A812612, Q27261047, 242-024-6 |
|---|---|
| Topological Polar Surface Area | 25.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Description | 2,3-Diethyl-5-methylpyrazine is a flavouring agent, and a constituent of Parmesan cheese, roasted filbert, roasted peanut, baked or chipped potato, cooked chicken, beef, lamb, mutton and pork. It is found in galbanum oil. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 114.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P83916, O75496, P27695 |
| Iupac Name | 2,3-diethyl-5-methylpyrazine |
| Prediction Hob | 1.0 |
| Class | Diazines |
| Xlogp | 1.9 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Pyrazines |
| Molecular Formula | C9H14N2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PSINWXIDJYEXLO-UHFFFAOYSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -0.814 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.964 |
| Synonyms | 2-Methyl-5,6-diethylpyrazine, 2,3-Diethyl-5-methyl-pyrazine, 2,3-Diethyl-6-methylpyrazine, 5-Methyl-2,3-diethylpyrazine, FEMA 3336, Pyrazine, 2,3-diethyl-5-methyl- |
| Substituent Name | Pyrazine, Heteroaromatic compound, Azacycle, Hydrocarbon derivative, Organonitrogen compound, Aromatic heteromonocyclic compound |
| Compound Name | 2,3-Diethyl-5-Methylpyrazine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 150.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.116 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2715313636363637 |
| Inchi | InChI=1S/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3 |
| Smiles | CCC1=NC=C(N=C1CC)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all