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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL162921
CHEMBL162921
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C2H8N2

Additional synonyms for CHEMBL162921 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNNC
Standard InChI InChI=1S/C2H8N2/c1-3-4-2/h3-4H,1-2H3
Standard InChI Key DIIIISSCIXVANO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL162921

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
60.1 60.0687 -0.66 1 24.06 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.29 -1.15 -3.02 0 4 0.39

Structural Alerts

There are 6 structural alerts for CHEMBL162921. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DIIIISSCIXVANO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL162921



ACToR 540-73-8
Brenda 30535
ChEBI 73755
eMolecules 25008
EPA CompTox Dashboard DTXSID0041228
FDA SRS IX068S9745
KEGG Ligand C19176
MolPort MolPort-001-779-939
Nikkaji J3.643I
PubChem 1322
PubChem: Thomson Pharma 14747299
SureChEMBL SCHEMBL22091
ZINC ZINC000038147320

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