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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15797
CHEMBL15797
Compound Name PYRAZINE
ChEMBL Synonyms Pyrazine
Max Phase 0
Trade Names
Molecular Formula C4H4N2

Additional synonyms for CHEMBL15797 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1cnccn1
Standard InChI InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H
Standard InChI Key KYQCOXFCLRTKLS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15797

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
80.1 80.0374 -0.47 0 25.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.22 0 0 1 6 0.42

Structural Alerts

There are no structural alerts for CHEMBL15797

Compound Cross References

ChemSpider ChemSpider:KYQCOXFCLRTKLS-UHFFFAOYSA-N
PubChem SID: 144210109
Wikipedia Pyrazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15797



ACToR 290-37-9
ChEBI 30953
eMolecules 531195
EPA CompTox Dashboard DTXSID8049410
FDA SRS 2JKE371789
Human Metabolome Database HMDB0034176
IBM Patent System 79BC3A5D1ABEA0C421C968872D318A75 631BA436E33B3CF238E8F94B8E5DA093
Mcule MCULE-7343822850
Metabolights MTBLC30953
MolPort MolPort-000-158-413
Nikkaji J2.569K
NMRShiftDB 19706
PubChem 9261
PubChem: Thomson Pharma 15213206
SureChEMBL SCHEMBL5179
ZINC ZINC000001692439

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/KYQCOXFCLRTKLS-UHFFFAOYSA-N spacer
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