Summary

IMPPAT Phytochemical identifier: IMPHY017431

Phytochemical name: 2,5-Dimethyl-3-(1-propenyl)pyrazine

Synonymous chemical names:
2,5-dimethyl-3-(1-propenyl)-pyrazine

External chemical identifiers:
CID:5371955, ZINC:ZINC000033844977, SureChEMBL:SCHEMBL12408953

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Chemical structure information

SMILES:
C/C=C/c1nc(C)cnc1C

InChI:
InChI=1S/C9H12N2/c1-4-5-9-8(3)10-6-7(2)11-9/h4-6H,1-3H3/b5-4+

InChIKey:
UPGLIDCBHZSEJE-SNAWJCMRSA-N

DeepSMILES:
C/C=C/cncC)cnc6C

Functional groups:
c/C=C/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, Amino acids and Peptides

NP Classifier Superclass: Tetramate alkaloids, Peptide alkaloids

NP Classifier Class: Pyrazine and Piperazine alkaloids

NP-Likeness score: -0.348

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Chemical structure download