Summary

IMPPAT Phytochemical identifier: IMPHY017248

Phytochemical name: 2-Ethyl-3-methylpyrazine

Synonymous chemical names:
2-ethyl-3-methyl-pyrazine, 2-ethyl-3-methylpyrazine, pyrazine, 2-ethyl-3-methyl-

External chemical identifiers:
CID:27457, ChEMBL:CHEMBL3187840, ZINC:ZINC000000409274, FDASRS:9GF35MK66U, SureChEMBL:SCHEMBL108460, MolPort-001-769-741

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Chemical structure information

SMILES:
CCc1nccnc1C

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

InChIKey:
LNIMMWYNSBZESE-UHFFFAOYSA-N

DeepSMILES:
CCcnccnc6C

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: -0.474

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Chemical structure download