Summary

IMPPAT Phytochemical identifier: IMPHY002803

Phytochemical name: 2,3,5,6-Tetramethylpyrazine

Synonymous chemical names:
ligustrazine, tetramethylpyrazine

External chemical identifiers:
CID:14296, ChEMBL:CHEMBL303697, ChEBI:133246, ZINC:ZINC000000004042, FDASRS:V80F4IA5XG, SureChEMBL:SCHEMBL77624, MolPort-002-473-658

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Chemical structure information

SMILES:
Cc1nc(C)c(nc1C)C

InChI:
InChI=1S/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3

InChIKey:
FINHMKGKINIASC-UHFFFAOYSA-N

DeepSMILES:
CcncC)cnc6C)))C

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: -0.451

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Chemical structure download