Summary

IMPPAT Phytochemical identifier: IMPHY004691

Phytochemical name: 2-Ethenyl-6-methylpyrazine

Synonymous chemical names:
2-methyl-6-vinylpyrazine

External chemical identifiers:
CID:518838, ZINC:ZINC000032149475, SureChEMBL:SCHEMBL5212754, MolPort-035-868-643

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Chemical structure information

SMILES:
Cc1cncc(n1)C=C

InChI:
InChI=1S/C7H8N2/c1-3-7-5-8-4-6(2)9-7/h3-5H,1H2,2H3

InChIKey:
KZXOOWGVLDEHDT-UHFFFAOYSA-N

DeepSMILES:
Cccnccn6)C=C

Functional groups:
cC=C, 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

NP Classifier Superclass: Peptide alkaloids

NP Classifier Class: Pyrazine and Piperazine alkaloids

NP-Likeness score: -0.478

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Chemical structure download