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COCONUT Compound

2-METHYLPYRAZINE

CNP0285763.0 · C5H6N2 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name2-METHYLPYRAZINE
IUPAC Name2-methylpyrazine
COCONUT IDCNP0285763.0
CAS109-08-0, 10-98-0
InChIKeyCAWHJQAVHZEVTJ-UHFFFAOYSA-N
InChIInChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3
SMILESCC1=CN=CC=N1

Properties

Molecular FormulaC5H6N2
Molecular Weight94.12
Exact Mass94.05310
Log P (ALogP)0.79
TPSA25.78
H-Bond Donors / Acceptors0 / 2
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.47
NP-likeness-1.55

Classification

NP PathwayAlkaloids
NP SuperclassTetramate alkaloids
NP ClassPyrazine and Piperazine alkaloids
Chemical SuperclassOrganoheterocyclic compounds
Chemical ClassDiazines
Chemical SubclassPyrazines

Reported in GR-MAPs Plants

Nicotiana tabacum as “Nicotiana tabacum” in COCONUT

References (16)

  1. 10.1002/BMC.969
  2. 10.1002/EJOC.201000155
  3. 10.1002/FFJ.1248
  4. 10.1002/MNFR.201801341
  5. 10.1016/0031-9422(92)80276-K
  6. 10.1016/J.CHROMA.2004.03.057
  7. 10.1021/JF60160A010
  8. 10.1021/JF60160A011
  9. 10.1021/JF60201A032
  10. 10.1021/JF801220B
  11. 10.1080/00021369.1984.10866348
  12. 10.1096/FJ.06-6927COM
  13. 10.1096/fj.06-6927com
  14. 10.1155/2018/4823126
  15. 10.17660/ACTAHORTIC.1999.479.17
  16. 10.3390/MOLECULES15096168

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.