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Substance Name: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl-
RN: 944-91-2
InChIKey: XNHJDSQIZMQBFF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H11-N3-O

Molecular Weight

  • 189.217
 
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Names and Synonyms

Synonyms

  • 2,4-Dihydro-2,4-dimethyl-5-phenyl-3H-1,2,4-triazol-3-one
  • 5-26-04-00315 (Beilstein Handbook Reference)
  • BRN 0611660

Systematic Name

  • 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl-

Registry Numbers

CAS Registry Number

  • 944-91-2

System Generated Number

  • 0000944912

Structure Descriptors

InChI

1S/C10H11N3O/c1-12-9(11-13(2)10(12)14)8-6-4-3-5-7-8/h3-7H,1-2H3

InChIKey

XNHJDSQIZMQBFF-UHFFFAOYSA-N

Smiles

c1(nn(c(n1C)=O)C)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 31, Pg. 1253, 1988.