Summary

IMPPAT Phytochemical identifier: IMPHY017258

Phytochemical name: 3,5-Diethyl-2-methylpyrazine

Synonymous chemical names:
diethyl-methylpyrazinea

External chemical identifiers:
CID:28906, ZINC:ZINC000002017409, FDASRS:7JG7NP41LF, SureChEMBL:SCHEMBL293166

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Chemical structure information

SMILES:
CCc1cnc(c(n1)CC)C

InChI:
InChI=1S/C9H14N2/c1-4-8-6-10-7(3)9(5-2)11-8/h6H,4-5H2,1-3H3

InChIKey:
MRWLZECVHMHMGI-UHFFFAOYSA-N

DeepSMILES:
CCccnccn6)CC)))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: -0.801

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Chemical structure download