Summary

IMPPAT Phytochemical identifier: IMPHY000043

Phytochemical name: 2-Methoxy-3-(4-methylpentyl)pyrazine

Synonymous chemical names:
2-methoxy-3-pyrazine

External chemical identifiers:
CID:111647, ChEMBL:CHEMBL94998, ZINC:ZINC000005759053, SureChEMBL:SCHEMBL5175641

---

Chemical structure information

SMILES:
COc1nccnc1CCCC(C)C

InChI:
InChI=1S/C11H18N2O/c1-9(2)5-4-6-10-11(14-3)13-8-7-12-10/h7-9H,4-6H2,1-3H3

InChIKey:
HQNJHPJFKOLFHC-UHFFFAOYSA-N

DeepSMILES:
COcnccnc6CCCCC)C

Functional groups:
cOC, cnc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cnccn1

Scaffold Graph/Node level:
C1CNCCN1

Scaffold Graph level:
C1CCCCC1

---

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: -0.157

---

Chemical structure download