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Substance Name: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-
RN: 116114-16-0
InChIKey: RUJCPPGLVRBNRL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H10-F-N3-O

Molecular Weight

  • 207.207
 
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Names and Synonyms

Synonyms

  • 2,4-Dihydro-2,4-dimethyl-5-(4-fluorophenyl)-3H-1,2,4-triazol-3-one
  • BRN 4189104

Systematic Name

  • 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-

Registry Numbers

CAS Registry Number

  • 116114-16-0

System Generated Number

  • 0116114160

Structure Descriptors

InChI

1S/C10H10FN3O/c1-13-9(12-14(2)10(13)15)7-3-5-8(11)6-4-7/h3-6H,1-2H3

InChIKey

RUJCPPGLVRBNRL-UHFFFAOYSA-N

Smiles

Cn1c(nn(c1=O)C)c2ccc(cc2)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 2772, 1990.