Summary

IMPPAT Phytochemical identifier: IMPHY017432

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

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

External chemical identifiers:
CID:5371957, ZINC:ZINC000033844979

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Chemical structure information

SMILES:
C/C=C/c1ncc(nc1C)C

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

InChIKey:
NDDMVJXHROIJBV-SNAWJCMRSA-N

DeepSMILES:
C/C=C/cnccnc6C)))C

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: -0.335

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Chemical structure download