Summary

IMPPAT Phytochemical identifier: IMPHY002958

Phytochemical name: 2,3,5-Trimethylpyrazine

Synonymous chemical names:
2, 3, 5-trimethyl pyrazine, 2,3,5-trimethylpyrazine, pyrazine, trimethyl, trimethy lpyrazineb, trimethyl pyrazine!

External chemical identifiers:
CID:26808, ChEMBL:CHEMBL320146, ZINC:ZINC000000406999, FDASRS:Q8PR0W8TIT, SureChEMBL:SCHEMBL107646, MolPort-002-497-752

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Chemical structure information

SMILES:
Cc1cnc(c(n1)C)C

InChI:
InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3

InChIKey:
IAEGWXHKWJGQAZ-UHFFFAOYSA-N

DeepSMILES:
Cccnccn6)C))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: -1.059

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Chemical structure download