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COCONUT Compound

5-Ethyl-2,3-dimethylpyrazine

CNP0231860.0 · C8H12N2 · View on COCONUT ↗

2D Structure

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Identifiers

Name5-Ethyl-2,3-dimethylpyrazine
IUPAC Name5-ethyl-2,3-dimethyl-pyrazine
COCONUT IDCNP0231860.0
CAS15707-34-3
InChIKeyCIBKSMZEVHTQLG-UHFFFAOYSA-N
InChIInChI=1S/C8H12N2/c1-4-8-5-9-6(2)7(3)10-8/h5H,4H2,1-3H3
SMILESCCC1=CN=C(C)C(C)=N1

Properties

Molecular FormulaC8H12N2
Molecular Weight136.20
Exact Mass136.10005
Log P (ALogP)1.66
TPSA25.78
H-Bond Donors / Acceptors0 / 2
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.59
NP-likeness-0.74

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

References (3)

  1. 10.1155/2018/4823126
  2. 10.3389/FMICB.2016.00899
  3. 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.