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Substance Name: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-fluorophenyl)-4-methyl-
RN: 116114-21-7
InChIKey: VWNZCRPRNPRKND-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H8-F-N3-O

Molecular Weight

  • 193.1802
 
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Names and Synonyms

Synonyms

  • 2,4-Dihydro-5-(4-fluorophenyl)-4-methyl-3H-1,2,4-triazol-3-one
  • BRN 4184107

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116114-21-7

System Generated Number

  • 0116114217

Structure Descriptors

InChI

1S/C9H8FN3O/c1-13-8(11-12-9(13)14)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,12,14)

InChIKey

VWNZCRPRNPRKND-UHFFFAOYSA-N

Smiles

Cn1c(n[nH]c1=O)c2ccc(cc2)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 2772, 1990.