Summary

IMPPAT Phytochemical identifier: IMPHY003484

Phytochemical name: 2,5-Dimethylpyrazine

Synonymous chemical names:
2,5-dimethyl-pyrazine, 2,5-dimethylpyrazine, 25-dimethylpyrazine

External chemical identifiers:
CID:31252, ChEMBL:CHEMBL94709, ChEBI:89762, ZINC:ZINC000000003182, FDASRS:V99Y0MUY1Q, SureChEMBL:SCHEMBL82304, MolPort-001-769-724

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Chemical structure information

SMILES:
Cc1ncc(nc1)C

InChI:
InChI=1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3

InChIKey:
LCZUOKDVTBMCMX-UHFFFAOYSA-N

DeepSMILES:
Ccnccnc6))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: -0.948

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Chemical structure download