2-Methylpyrazine
PubChem CID: 7976
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| Compound Synonyms | 2-METHYLPYRAZINE, 109-08-0, Methylpyrazine, Pyrazine, methyl-, Pyrazine, 2-methyl-, 2-METHYL PYRAZINE, 2-Methyl-1,4-diazine, methyl-pyrazine, FEMA No. 3309, 2-methyl-pyrazine, CCRIS 2927, EINECS 203-645-8, UNII-RVC6500U9C, MFCD00006142, NSC 30412, pyrazine, 2-methyl, RVC6500U9C, DTXSID4047620, CHEBI:89015, AI3-36550, NSC-30412, NSC-49138, 2-METHYLPYRAZINE [FCC], 2-METHYLPYRAZINE [FHFI], DTXCID2027620, FEMA 3309, WLN: T6N DNJ B1, 3-methylpyrazine, methyl pyrazine, 5-methylpyrazine, monomethylpyrazine, Pyrazine, methyl, 5-methyl pyrazine, Pyrazine, 2methyl, NSC30412, 2Methyl1,4diazine, 2-Methyl-1,4-diazinen, 2-Methylpyrazine (Standard), 2-Methylpyrazine, >=99%, CHEMBL479791, HY-W067358R, NSC49138, Tox21_303776, AKOS009156584, AC-3331, HY-W067358, 2-Methylpyrazine, >=99%, FCC, FG, NCGC00188126-01, NCGC00357068-01, 10-98-0, AS-13593, CAS-109-08-0, PD158410, DB-002464, CS-0059136, M0736, NS00020926, EN300-40909, D73175, Q27161158, F8889-9211, Z415628164, 2-Methylpyrazine, European Pharmacopoeia (EP) Reference Standard, 2-Methylpyrazine, Pharmaceutical Secondary Standard, Certified Reference Material, 203-645-8 |
|---|---|
| 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 | Cccnccn6 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Diazines |
| Description | Methylpyrazine is a flavouring agent. It is found in many foods, e.g. bakery products, dairy products, meats, baked or French fried potato, roasted barley, cocoa, coffee, tea, roasted filbert, roasted pecan, peanut, soy products, rum and whisky. |
| Scaffold Graph Node Level | C1CNCCN1 |
| Classyfire Subclass | Pyrazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 54.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9UNA4, P84022, Q9NUW8 |
| Iupac Name | 2-methylpyrazine |
| Prediction Hob | 1.0 |
| Class | Diazines |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.2 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Pyrazines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H6N2 |
| Scaffold Graph Node Bond Level | c1cnccn1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CAWHJQAVHZEVTJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.2 |
| Logs | 0.998 |
| Rotatable Bond Count | 0.0 |
| State | Liquid |
| Logd | 0.394 |
| Synonyms | 2-Methyl-1,4-diazine, 2-Methyl-pyrazine, 2-Methylpyrazine, FEMA 3309, Methyl-pyrazine, Pyrazine, 2-methyl-, Pyrazine, methyl-, 2-methylpyrazine, methylpyrazine |
| Substituent Name | Pyrazine, Heteroaromatic compound, Azacycle, Hydrocarbon derivative, Organonitrogen compound, Aromatic heteromonocyclic compound |
| Esol Class | Very soluble |
| Functional Groups | cnc |
| Compound Name | 2-Methylpyrazine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 94.0531 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 94.0531 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 94.11 |
| 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 | -1.1901111142857141 |
| Inchi | InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3 |
| Smiles | CC1=NC=CN=C1 |
| 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_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Benincasa Hispida (Plant) Rel Props:Reference:ISBN:9788172361792 - 5. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1248 - 8. Outgoing r'ship
FOUND_INto/from Chrysopogon Zizanioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9699005 - 9. Outgoing r'ship
FOUND_INto/from Elaeis Guineensis (Plant) Rel Props:Reference:ISBN:9788172362300 - 10. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699369 - 13. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:fooddb_chem_all - 14. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700625