RF2

3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole

Created:2009-02-03
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count30
Aromatic Bond Count19
2D diagram of RF2

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Chemical Component Summary

Name3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole
Systematic Name (OpenEye OEToolkits)3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole
FormulaC14 H10 F N3
Molecular Weight239.248
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc3ccc(c2nnc(c1ccccc1)n2)cc3
SMILESCACTVS3.341Fc1ccc(cc1)c2[nH]c(nn2)c3ccccc3
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)c2[nH]c(nn2)c3ccc(cc3)F
Canonical SMILESCACTVS3.341 Fc1ccc(cc1)c2[nH]c(nn2)c3ccccc3
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)c2[nH]c(nn2)c3ccc(cc3)F
InChIInChI1.03 InChI=1S/C14H10FN3/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
InChIKeyInChI1.03 KMGPJKOKSYGMJD-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB08470 
Name3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole
Groups experimental
Synonyms3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
HTH-type transcriptional regulator EthRMTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDL...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 12195517