Summary

IMPPAT Phytochemical identifier: IMPHY017245

Phytochemical name: 2-Ethyl-3,5-dimethylpyrazine

Synonymous chemical names:
2-ethyl-3,5-dimethyl pyrazine, 2-ethyl-3,5-dimethyl-pyrazine, 2-ethyl-3,5-dimethylpyrazine

External chemical identifiers:
CID:26334, ChEMBL:CHEMBL328856, ZINC:ZINC000002019415, FDASRS:R182EY5L8C, SureChEMBL:SCHEMBL108874, MolPort-002-462-003

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Chemical structure information

SMILES:
CCc1ncc(nc1C)C

InChI:
InChI=1S/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3

InChIKey:
JZBCTZLGKSYRSF-UHFFFAOYSA-N

DeepSMILES:
CCcnccnc6C)))C

Functional groups:
cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cnccn1

Scaffold Graph/Node level:
C1CNCCN1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazines

ClassyFire Subclass: Pyrazines

NP Classifier Biosynthetic pathway: Alkaloids, Amino acids and Peptides

NP Classifier Superclass: Tetramate alkaloids, Peptide alkaloids

NP Classifier Class: Pyrazine and Piperazine alkaloids

NP-Likeness score: -1.246

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Chemical structure download