Summary

IMPPAT Phytochemical identifier: IMPHY017306

Phytochemical name: 2,5-Dimethyl-3-(3-methylbutyl)pyrazine

Synonymous chemical names:
2,5-dimethyl-3-(3-methylbutyl)-pyrazine

External chemical identifiers:
CID:519564, ChEMBL:CHEMBL96244, SureChEMBL:SCHEMBL6130003, MolPort-046-509-815

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Chemical structure information

SMILES:
CC(CCc1nc(C)cnc1C)C

InChI:
InChI=1S/C11H18N2/c1-8(2)5-6-11-10(4)12-7-9(3)13-11/h7-8H,5-6H2,1-4H3

InChIKey:
WWAYKGYKYHEINT-UHFFFAOYSA-N

DeepSMILES:
CCCCcncC)cnc6C)))))))))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: -0.317

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Chemical structure download