ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15719
CHEMBL15719
Compound Name PYRIDAZINE
ChEMBL Synonyms Pyridazine
Max Phase 0
Trade Names
Molecular Formula C4H4N2

Additional synonyms for CHEMBL15719 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccnnc1
Standard InChI InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H
Standard InChI Key PBMFSQRYOILNGV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15719

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 0.21 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
- 3.12 -.51 -.51 1 6 0.45

Structural Alerts

There are no structural alerts for CHEMBL15719

Compound Cross References

ChemSpider ChemSpider:PBMFSQRYOILNGV-UHFFFAOYSA-N
Wikipedia Pyridazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15719



ACToR 289-80-5
ChEBI 30954
eMolecules 531222
EPA CompTox Dashboard DTXSID7059777
FDA SRS 449GLA0653
IBM Patent System 86EE365BFFC06CEF90B2FA0034FE1B2B DB2C542D5BE463AD0EEB5753B981E22A
Mcule MCULE-3487470460
MolPort MolPort-000-884-062
Nikkaji J2.567D
NMRShiftDB 10016233
PubChem 9259
PubChem: Thomson Pharma 14940420
SureChEMBL SCHEMBL2852
ZINC ZINC000001682358

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