Summary

IMPPAT Phytochemical identifier: IMPHY008686

Phytochemical name: 2-Ethyl-5-methylpyrazine

Synonymous chemical names:
2-ethyl-5-methylpyrazine, 2-methyl-5-ethylpyrazine

External chemical identifiers:
CID:25915, ChEMBL:CHEMBL94558, ChEBI:141542, ZINC:ZINC000002019686, FDASRS:W41R8X574D, SureChEMBL:SCHEMBL110053, MolPort-003-960-069

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Chemical structure information

SMILES:
CCc1cnc(cn1)C

InChI:
InChI=1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3

InChIKey:
OXCKCFJIKRGXMM-UHFFFAOYSA-N

DeepSMILES:
CCccnccn6))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: -1.109

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Chemical structure download