Summary

IMPPAT Phytochemical identifier: IMPHY007044

Phytochemical name: 2,6-Diethylpyrazine

Synonymous chemical names:
2-6-diethyl-pyrazine

External chemical identifiers:
CID:83101, ZINC:ZINC000005688625, FDASRS:E1M79S9DNI, SureChEMBL:SCHEMBL830961, MolPort-028-747-650

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Chemical structure information

SMILES:
CCc1cncc(n1)CC

InChI:
InChI=1S/C8H12N2/c1-3-7-5-9-6-8(4-2)10-7/h5-6H,3-4H2,1-2H3

InChIKey:
QDWOWLUANUBTGE-UHFFFAOYSA-N

DeepSMILES:
CCccnccn6)CC

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: -0.877

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Chemical structure download