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COCONUT Compound

2,5-DIMETHYLPYRAZINE

CNP0257272.0 · C6H8N2 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name2,5-DIMETHYLPYRAZINE
IUPAC Name2,5-dimethylpyrazine
COCONUT IDCNP0257272.0
CAS123-32-0
InChIKeyLCZUOKDVTBMCMX-UHFFFAOYSA-N
InChIInChI=1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3
SMILESCC1=CN=C(C)C=N1

Properties

Molecular FormulaC6H8N2
Molecular Weight108.14
Exact Mass108.06875
Log P (ALogP)1.09
TPSA25.78
H-Bond Donors / Acceptors0 / 2
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.50
NP-likeness-0.95

Classification

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

Reported in GR-MAPs Plants

Mucuna pruriens as “Mucuna pruriens var. utilis” in COCONUT
Nicotiana tabacum as “Nicotiana tabacum” in COCONUT

References (15)

  1. 10.1002/EJOC.201000155
  2. 10.1002/FFJ.1248
  3. 10.1002/MNFR.201801341
  4. 10.1007/S11104-010-0583-Z
  5. 10.1007/s10886-009-9631-7
  6. 10.1016/J.CHROMA.2004.03.057
  7. 10.1021/JF00055A023
  8. 10.1021/JF0402633
  9. 10.1021/JF302075W
  10. 10.1021/jf00055a023
  11. 10.1021/jf302075w
  12. 10.1096/fj.06-6927com
  13. 10.1155/2018/4823126
  14. 10.3389/FMICB.2016.00899
  15. 10.3389/fmicb.2016.00899

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.