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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2148102
CHEMBL2148102
Compound Name
ChEMBL Synonyms 1,2,3-Triazole
Max Phase 0
Trade Names
Molecular Formula C2H3N3

Additional synonyms for CHEMBL2148102 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1c[nH]nn1
Standard InChI InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)
Standard InChI Key QWENRTYMTSOGBR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2148102

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 -0.2 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
8.73 1.17 -.63 -.65 1 5 0.46

Structural Alerts

There are no structural alerts for CHEMBL2148102

Compound Cross References

ChemSpider ChemSpider:QWENRTYMTSOGBR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2148102



ACToR 288-36-8 288-35-7 37306-44-8
Brenda 62187
ChEBI 35565 35566
ChemicalBook CB3290804
eMolecules 884684 498456
IBM Patent System F4CC488F1E8E1BE13F8C7E0ACCB37533 65E48D9A54174A36BBEB0D217CC30B2F CEC141C7329E0CBBC3AEFDAB55EDCF32 F595130EEE7DFAAB2B3FB136BE52FD25 D3F31B111383C2F42BC2ABE1C04D6608
Mcule MCULE-9027372824
MolPort MolPort-002-479-938 MolPort-001-759-986
Nikkaji J124.171K J5.453D
NMRShiftDB 10016226
PubChem 67516
PubChem: Thomson Pharma 15296881 15296880
SureChEMBL SCHEMBL102
ZINC ZINC000004807252

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