Summary

IMPPAT Phytochemical identifier: IMPHY005670

Phytochemical name: 2,3-Dimethylpyrazine

Synonymous chemical names:
2,3-dimethyl-dimethylpyrazine, 2,3-dimethyl-pyrazine, 2,3-dimethylpyrazine

External chemical identifiers:
CID:22201, ChEMBL:CHEMBL96425, ZINC:ZINC000000003183, FDASRS:WHF7883D0V, SureChEMBL:SCHEMBL151026, MolPort-001-769-723

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Chemical structure information

SMILES:
Cc1nccnc1C

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

InChIKey:
OXQOBQJCDNLAPO-UHFFFAOYSA-N

DeepSMILES:
Ccnccnc6C

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: -0.425

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Chemical structure download