Summary

IMPPAT Phytochemical identifier: IMPHY017335

Phytochemical name: 1-(6-Methyl-2-pyrazinyl)ethanone

Synonymous chemical names:
2-acetyl-6-methylpyrazine

External chemical identifiers:
CID:527821, ZINC:ZINC000002516014, SureChEMBL:SCHEMBL10307337

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Chemical structure information

SMILES:
Cc1cncc(n1)C(=O)C

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

InChIKey:
YVSDZDUKXQLFLV-UHFFFAOYSA-N

DeepSMILES:
Cccnccn6)C=O)C

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: -1.115

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Chemical structure download