Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4H-1,2,4-Triazole, 4-methyl-3-(4-methylphenyl)-5-(methylsulfonyl)-
RN: 116850-72-7
InChIKey: HMOUVELVVNRYEL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-N3-O2-S

Molecular Weight

  • 251.3087
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 4-Methyl-3-(4-methylphenyl)-5-(methylsulfonyl)-4H-1,2,4-triazole

Systematic Name

  • 4H-1,2,4-Triazole, 4-methyl-3-(4-methylphenyl)-5-(methylsulfonyl)-

Registry Numbers

CAS Registry Number

  • 116850-72-7

System Generated Number

  • 0116850727

Structure Descriptors

InChI

1S/C11H13N3O2S/c1-8-4-6-9(7-5-8)10-12-13-11(14(10)2)17(3,15)16/h4-7H,1-3H3

InChIKey

HMOUVELVVNRYEL-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)c2nnc(n2C)S(=O)(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 37, Pg. 125, 1994.