Summary

IMPPAT Phytochemical identifier: IMPHY003338

Phytochemical name: 2-Methoxy-3-methylpyrazine

Synonymous chemical names:
2-methoxy-3-methylpyrazine

External chemical identifiers:
CID:17898, ChEMBL:CHEMBL329881, ZINC:ZINC000000405269, FDASRS:04O7CN9Q85, SureChEMBL:SCHEMBL422296, MolPort-003-894-598

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Chemical structure information

SMILES:
COc1nccnc1C

InChI:
InChI=1S/C6H8N2O/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3

InChIKey:
VKJIAEQRKBQLLA-UHFFFAOYSA-N

DeepSMILES:
COcnccnc6C

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: -0.919

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Chemical structure download