Summary

IMPPAT Phytochemical identifier: IMPHY017319

Phytochemical name: 2,5-Dimethyl-3-pentylpyrazine

Synonymous chemical names:
2,5-dimethyl-3-pentylpyrazine

External chemical identifiers:
CID:521746, ZINC:ZINC000032154545, SureChEMBL:SCHEMBL7115020

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Chemical structure information

SMILES:
CCCCCc1nc(C)cnc1C

InChI:
InChI=1S/C11H18N2/c1-4-5-6-7-11-10(3)12-8-9(2)13-11/h8H,4-7H2,1-3H3

InChIKey:
VJNUCPVMBFFSSP-UHFFFAOYSA-N

DeepSMILES:
CCCCCcncC)cnc6C

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: -0.45

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Chemical structure download