Summary

IMPPAT Phytochemical identifier: IMPHY002950

Phytochemical name: 2-Ethylpyrazine

Synonymous chemical names:
2-ethyl-pyrazine, 2-ethylpyrazine, ethylpyrazine

External chemical identifiers:
CID:26331, ChEMBL:CHEMBL97525, ChEBI:73232, ZINC:ZINC000004262348, FDASRS:0QO4LUV16Z, SureChEMBL:SCHEMBL12431, MolPort-002-462-002

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Chemical structure information

SMILES:
CCc1cnccn1

InChI:
InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3

InChIKey:
KVFIJIWMDBAGDP-UHFFFAOYSA-N

DeepSMILES:
CCccnccn6

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: -1.549

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Chemical structure download