Summary

IMPPAT Phytochemical identifier: IMPHY007398

Phytochemical name: Pyrazine

Synonymous chemical names:
pyrazine

External chemical identifiers:
CID:9261, ChEMBL:CHEMBL15797, ChEBI:30953, ZINC:ZINC000001692439, FDASRS:2JKE371789, SureChEMBL:SCHEMBL5179, MolPort-000-158-413

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Chemical structure information

SMILES:
n1ccncc1

InChI:
InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H

InChIKey:
KYQCOXFCLRTKLS-UHFFFAOYSA-N

DeepSMILES:
nccncc6

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

NP Classifier Class: Pyrazine and Piperazine alkaloids

NP-Likeness score: -0.869

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Chemical structure download