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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15698
CHEMBL15698
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C3H3N3

Additional synonyms for CHEMBL15698 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ncncn1
Standard InChI InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H
Standard InChI Key JIHQDMXYYFUGFV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15698

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
81.1 81.0327 -0.06 0 38.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.07 -.73 -.73 1 6 0.44

Structural Alerts

There are no structural alerts for CHEMBL15698

Compound Cross References

ChemSpider ChemSpider:JIHQDMXYYFUGFV-UHFFFAOYSA-N
Wikipedia 1,3,5-Triazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15698



ACToR 290-87-9
Brenda 107233
ChEBI 30259
eMolecules 532571
EPA CompTox Dashboard DTXSID7052785
FDA SRS 8B5F4CM81E
IBM Patent System 71F1B464F1EC5C99E57CBF1D8541673E
Mcule MCULE-4420507646
MolPort MolPort-001-738-530
Nikkaji J102.028E
NMRShiftDB 10016235
PubChem 9262
PubChem: Thomson Pharma 15321038
SureChEMBL SCHEMBL13281
ZINC ZINC000001718513

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