Summary

IMPPAT Phytochemical identifier: IMPHY017797

Phytochemical name: 2-Propylpyrazine

Synonymous chemical names:
pyrazine, 2-propyl-

External chemical identifiers:
CID:87466, ZINC:ZINC000002509971, FDASRS:62VZ3AQA6L, SureChEMBL:SCHEMBL309452, MolPort-000-158-403

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Chemical structure information

SMILES:
CCCc1cnccn1

InChI:
InChI=1S/C7H10N2/c1-2-3-7-6-8-4-5-9-7/h4-6H,2-3H2,1H3

InChIKey:
DJLLTFRHLPVCEL-UHFFFAOYSA-N

DeepSMILES:
CCCccnccn6

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: -1.524

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Chemical structure download