Summary

IMPPAT Phytochemical identifier: IMPHY002889

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

Synonymous chemical names:
2,3-dimethyl-5-ethylpyrazine

External chemical identifiers:
CID:27460, ChEMBL:CHEMBL94736, ZINC:ZINC000002018675, FDASRS:6496XCH56Q, SureChEMBL:SCHEMBL162396, MolPort-003-984-637

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Chemical structure information

SMILES:
CCc1cnc(c(n1)C)C

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

InChIKey:
CIBKSMZEVHTQLG-UHFFFAOYSA-N

DeepSMILES:
CCccnccn6)C))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: -0.741

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Chemical structure download