Summary

IMPPAT Phytochemical identifier: IMPHY006978

Phytochemical name: 2-Methylpyrazine

Synonymous chemical names:
2-methylpyrazine, methylpyrazine

External chemical identifiers:
CID:7976, ChEMBL:CHEMBL479791, ChEBI:89015, ZINC:ZINC000001661081, FDASRS:RVC6500U9C, SureChEMBL:SCHEMBL12345, MolPort-000-157-481

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Chemical structure information

SMILES:
Cc1cnccn1

InChI:
InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3

InChIKey:
CAWHJQAVHZEVTJ-UHFFFAOYSA-N

DeepSMILES:
Cccnccn6

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: -1.545

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Chemical structure download