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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2148103
CHEMBL2148103
Compound Name TETRAZOLE
ChEMBL Synonyms Tetrazole
Max Phase 0
Trade Names
Molecular Formula CH2N4

Additional synonyms for CHEMBL2148103 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1nnn[nH]1
Standard InChI InChI=1S/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5)
Standard InChI Key KJUGUADJHNHALS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2148103

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
70.1 70.0279 -0.8 0 54.46 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.73 .8 -.6 -2.52 1 5 0.43

Structural Alerts

There are no structural alerts for CHEMBL2148103

Compound Cross References

ChemSpider ChemSpider:KJUGUADJHNHALS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2148103



ACToR 27988-97-2 100043-29-6 288-94-8
Brenda 136744 97766 97955
ChEBI 33194 33193
ChemicalBook CB4230898
eMolecules 29918558 485208
EPA CompTox Dashboard DTXSID5075280
IBM Patent System 3F91D13010E35C4D2376B7EE95D67677 0C2658040E9AA544D3DB2E6A1BFD0AF2 C5777C16CB9E623839C7C27F3719C45B E37AD28F6A5DF5610DED37D36CF840AE
Mcule MCULE-5933021454
MolPort MolPort-001-759-794
Nikkaji J390E
NMRShiftDB 10016230
PubChem 67519
PubChem: Thomson Pharma 14747309 15119606
SureChEMBL SCHEMBL877
ZINC ZINC000008251268

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