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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL174776
CHEMBL174776
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C5H14N2

Additional synonyms for CHEMBL174776 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNCCCNC
Standard InChI InChI=1S/C5H14N2/c1-6-4-3-5-7-2/h6-7H,3-5H2,1-2H3
Standard InChI Key UQUPIHHYKUEXQD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL174776

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
102.2 102.1157 -0.18 4 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
- 10.86 -.12 -4.18 0 7 0.48

Structural Alerts

There are 3 structural alerts for CHEMBL174776. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UQUPIHHYKUEXQD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL174776



ACToR 111-33-1
eMolecules 496770
EPA CompTox Dashboard DTXSID8059398
Mcule MCULE-3840224541
MolPort MolPort-001-792-144
Nikkaji J27.959E
PubChem 66978
PubChem: Thomson Pharma 14891420
SureChEMBL SCHEMBL148461
ZINC ZINC000001744499

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