Summary

IMPPAT Phytochemical identifier: IMPHY003004

Phytochemical name: 2,5-Diethylpyrazine

Synonymous chemical names:
2,5-diethylpyrazine

External chemical identifiers:
CID:25797, ZINC:ZINC000002019768, SureChEMBL:SCHEMBL830188

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Chemical structure information

SMILES:
CCc1ncc(nc1)CC

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

InChIKey:
WAVOLMBVDCRBGR-UHFFFAOYSA-N

DeepSMILES:
CCcnccnc6))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: -0.477

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Chemical structure download