ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3188794
CHEMBL3188794
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6N4

Additional synonyms for CHEMBL3188794 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N#CC(=C(C#N)C#N)C#N
Standard InChI InChI=1S/C6N4/c7-1-5(2-8)6(3-9)4-10
Standard InChI Key NLDYACGHTUPAQU-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3188794

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
128.1 128.0123 0.38 0 95.16 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -1.44 -1.44 0 10 0.44

Structural Alerts

There are 6 structural alerts for CHEMBL3188794. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NLDYACGHTUPAQU-UHFFFAOYSA-N
PubChem SID: 144210138

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3188794



ACToR 51778-96-2 670-54-2
eMolecules 532006
EPA CompTox Dashboard DTXSID7049425
FDA SRS C592309ECU
IBM Patent System 6A10D8124EBBCC10D8AC5D7B20FFE5C3
Mcule MCULE-8813771659
MolPort MolPort-001-762-067
Nikkaji J7.085H J2.225.846J
NMRShiftDB 10015868
PubChem 12635
PubChem: Thomson Pharma 15297210
SureChEMBL SCHEMBL26931
ZINC ZINC000000157886

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