Summary

IMPPAT Phytochemical identifier: IMPHY016371

Phytochemical name: 3-Methoxy-2,5-dimethylpyrazine

Synonymous chemical names:
3-methoxy-2,5-dimethylpyrazine

External chemical identifiers:
CID:586728, ChEMBL:CHEMBL94628, ZINC:ZINC000014448315, SureChEMBL:SCHEMBL4497174, MolPort-044-831-682

---

Chemical structure information

SMILES:
COc1nc(C)cnc1C

InChI:
InChI=1S/C7H10N2O/c1-5-4-8-6(2)7(9-5)10-3/h4H,1-3H3

InChIKey:
QYRGVELVPYDICQ-UHFFFAOYSA-N

DeepSMILES:
COcncC)cnc6C

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: -1.292

---

Chemical structure download