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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15571
CHEMBL15571
Compound Name 1,2,4-TRIAZOLE
ChEMBL Synonyms 4H-[1,2,4]Triazole | 1H-1,2,4-Triazole | 1,2,4-Triazole
Max Phase 0
Trade Names
Molecular Formula C2H3N3

Additional synonyms for CHEMBL15571 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1nc[nH]n1
Standard InChI InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
Standard InChI Key NSPMIYGKQJPBQR-UHFFFAOYSA-N

Sources

  • Curated Drug Metabolism Pathways
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15571

Metabolites for CHEMBL15571

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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
69.1 69.0327 -0.41 0 41.57 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.49 2.7 -.58 -.58 1 5 0.45

Structural Alerts

There are no structural alerts for CHEMBL15571

Compound Cross References

ChemSpider ChemSpider:NSPMIYGKQJPBQR-UHFFFAOYSA-N
PubChem SID: 144210433
Wikipedia 1,2,4-Triazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15571



ACToR 63598-71-0 116421-29-5
Brenda 42838
ChEBI 46077 35550
DrugBank DB03594
eMolecules 36623276 532575
EPA CompTox Dashboard DTXSID6027131
FDA SRS 10MS0Y1RDI
IBM Patent System 8BEFC6EE38F7C016535F6AF0B0A1606D 3A8D79F0893696D1129366CC250C4EB8 510CE4F993EFA1333E6E72AF8DE374F7 2797A6293215809A8D529BEE0BCDD79B 4A78157EFB01E527EB0300FD3BB408E2 7BACE145CAF5F77AD1B55F1ED7882343
Mcule MCULE-3522189420
MolPort MolPort-000-872-085 MolPort-003-749-451
Nikkaji J5.455K
NMRShiftDB 10016223 10016227
PDBe TRI
PubChem 9257
PubChem: Thomson Pharma 14867118 16520216
SureChEMBL SCHEMBL18296
ZINC ZINC000005943507

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