Summary

IMPPAT Phytochemical identifier: IMPHY012185

Phytochemical name: 2-Isopropyl-3-methoxypyrazine

Synonymous chemical names:
2-isopropyl-3-methoxy pyrazine, 2-isopropyl-3-methoxypyrazine

External chemical identifiers:
CID:33166, ChEMBL:CHEMBL96852, ZINC:ZINC000000156526, FDASRS:1FL7L111A6, SureChEMBL:SCHEMBL111252, MolPort-002-343-990

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Chemical structure information

SMILES:
COc1nccnc1C(C)C

InChI:
InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3

InChIKey:
NTOPKICPEQUPPH-UHFFFAOYSA-N

DeepSMILES:
COcnccnc6CC)C

Functional groups:
cOC, 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: -0.707

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Chemical structure download