Summary

IMPPAT Phytochemical identifier: IMPHY017277

Phytochemical name: 2-Acetyl-3-methylpyrazine

Synonymous chemical names:
2-acetyl-3-methylpyrazine

External chemical identifiers:
CID:32093, ChEBI:166500, ZINC:ZINC000000164508, FDASRS:7U5TEW2Y2B, SureChEMBL:SCHEMBL335305, MolPort-000-145-947

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Chemical structure information

SMILES:
CC(=O)c1nccnc1C

InChI:
InChI=1S/C7H8N2O/c1-5-7(6(2)10)9-4-3-8-5/h3-4H,1-2H3

InChIKey:
QUNOTZOHYZZWKQ-UHFFFAOYSA-N

DeepSMILES:
CC=O)cnccnc6C

Functional groups:
cC(C)=O, 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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

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: -0.387

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Chemical structure download