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2-Ethyl-3-Methylpyrazine

PubChem CID: 27457

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Compound Synonyms 2-ETHYL-3-METHYLPYRAZINE, 15707-23-0, Pyrazine, 2-ethyl-3-methyl-, 2-Methyl-3-ethylpyrazine, 3-Ethyl-2-methylpyrazine, 2-Ethyl-3-methyl pyrazine, FEMA No. 3155, 2-Ethyl-3-methylpyrazine, 9CI, BRN 0956775, 2-ethyl-3-methyl-pyrazine, EINECS 239-799-8, UNII-9GF35MK66U, 9GF35MK66U, DTXSID4047464, 2-Methyl-3-ethyl pyrazine, Pyrazine, 3-ethyl-2-methyl, DTXCID2027464, FEMA 3155, 5-23-05-00418 (Beilstein Handbook Reference), Pyrazine, ethylmethyl-, 2-ETHYL-3-METHYLPYRAZINE [FCC], 2-ETHYL-3-METHYL-1,4-PYRAZINE, 2-ETHYL-3-METHYLPYRAZINE [FHFI], MFCD00006150, 2-Methyl-3-ethyl-pyrazine, SCHEMBL108460, CHEMBL3187840, CHEBI:193620, Tox21_302613, AKOS015842908, CS-W013548, NCGC00256746-01, AC-16592, BS-15466, CAS-15707-23-0, DB-021037, E0361, NS00012435, 2-Ethyl-3-methylpyrazine, >=98%, FCC, FG, D90495, EN300-2010184, Q17239258, 2-Ethyl-3-methylpyrazine, analytical reference material, 239-799-8
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 CCcnccnc6C
Heavy Atom Count 9.0
Classyfire Class Diazines
Description Flavouring compound [Flavornet]
Scaffold Graph Node Level C1CNCCN1
Classyfire Subclass Pyrazines
Isotope Atom Count 0.0
Molecular Complexity 83.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P10275
Iupac Name 2-ethyl-3-methylpyrazine
Prediction Hob 1.0
Class Diazines
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Xlogp 1.1
Superclass Organoheterocyclic compounds
Subclass Pyrazines
Gsk 4 400 Rule True
Molecular Formula C7H10N2
Scaffold Graph Node Bond Level c1cnccn1
Prediction Swissadme 0.0
Inchi Key LNIMMWYNSBZESE-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.4285714285714285
Logs 0.528
Rotatable Bond Count 1.0
Logd 1.052
Synonyms 2-ETHYL-3-METHYL PYRAZINE, 2-Ethyl-3-methyl-pyrazine, 2-Methyl-3-ethylpyrazine, 3-Ethyl-2-methylpyrazine, FEMA 3155, Pyrazine, 2-ethyl-3-methyl-, Pyrazine, 3-ethyl-2-methyl, 2-ETHYL-3-methyl pyrazine, 2-ethyl-3-methyl-pyrazine, 2-ethyl-3-methylpyrazine, pyrazine, 2-ethyl-3-methyl-
Substituent Name Pyrazine, Heteroaromatic compound, Azacycle, Hydrocarbon derivative, Organonitrogen compound, Aromatic heteromonocyclic compound
Esol Class Very soluble
Functional Groups cnc
Compound Name 2-Ethyl-3-Methylpyrazine
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 122.084
Formal Charge 0.0
Monoisotopic Mass 122.084
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 122.17
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
Esol -1.698893533333333
Inchi InChI=1S/C7H10N2/c1-3-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3
Smiles CCC1=NC=CN=C1C
Nring 1.0
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_IN to/from Arachis Hypogaea (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.961039
  • 2. Outgoing r'ship FOUND_IN to/from Argyranthemum Frutescens (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Baeckea Frutescens (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Capsicum Frutescens (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Chrysopogon Zizanioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9699005
  • 6. Outgoing r'ship FOUND_IN to/from Coffea Arabica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3517
  • 7. Outgoing r'ship FOUND_IN to/from Coffea Canephora (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3517
  • 8. Outgoing r'ship FOUND_IN to/from Dalbergia Frutescens (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Ichnocarpus Frutescens (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Iva Frutescens (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Oreocnide Frutescens (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Perilla Ocymoides (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699369
  • 15. Outgoing r'ship FOUND_IN to/from Scaevola Frutescens (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Sutherlandia Frutescens (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Triticum Aestivum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699245
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