Summary

IMPPAT Phytochemical identifier: IMPHY003543

Phytochemical name: 2-Ethyl-3-methoxypyrazine

Synonymous chemical names:
2-alkyl-3-methoxypyrazine

External chemical identifiers:
CID:33135, ChEMBL:CHEMBL328465, ZINC:ZINC000000409299, FDASRS:ZBM5LD0WE9, SureChEMBL:SCHEMBL1607631, MolPort-000-155-291

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Chemical structure information

SMILES:
COc1nccnc1CC

InChI:
InChI=1S/C7H10N2O/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H3

InChIKey:
DPCILIMHENXHQX-UHFFFAOYSA-N

DeepSMILES:
COcnccnc6CC

Functional groups:
cOC, 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: -0.904

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Chemical structure download