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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

Structural Alerts

There are no structural alerts for CHEMBL15698

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

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
ChEBI 30259
eMolecules 532571
FDA SRS 8B5F4CM81E
IBM Patent System 71F1B464F1EC5C99E57CBF1D8541673E
MolPort MolPort-001-738-530
Nikkaji J102.028E
NMRShiftDB 10016235
PubChem 9262
PubChem: Thomson Pharma 15321038
SureChEMBL SCHEMBL13281
ZINC ZINC01718513

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