Summary

IMPPAT Phytochemical identifier: IMPHY014340

Phytochemical name: 3-sec-Butyl-2-methoxy-5-methylpyrazine

Synonymous chemical names:
pyrazine,3-sec.butyl-2-methoxy-5-methyl

External chemical identifiers:
CID:15590167, MolPort-004-799-705

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Chemical structure information

SMILES:
CCC(c1nc(C)cnc1OC)C

InChI:
InChI=1S/C10H16N2O/c1-5-7(2)9-10(13-4)11-6-8(3)12-9/h6-7H,5H2,1-4H3

InChIKey:
VPZHXSRAUPOUQO-UHFFFAOYSA-N

DeepSMILES:
CCCcncC)cnc6OC))))))))C

Functional groups:
cOC, 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: -0.888

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Chemical structure download