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Substance Name: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-phenyl-
RN: 50369-39-6
InChIKey: OKFGHQWHWBSJHA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H9-N3-O

Molecular Weight

  • 175.1901
 
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Names and Synonyms

Synonyms

  • 2,4-Dihydro-4-methyl-5-phenyl-3H-1,2,4-triazol-3-one
  • 5-26-04-00312 (Beilstein Handbook Reference)
  • BRN 0609969

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 50369-39-6

System Generated Number

  • 0050369396

Structure Descriptors

InChI

1S/C9H9N3O/c1-12-8(10-11-9(12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13)

InChIKey

OKFGHQWHWBSJHA-UHFFFAOYSA-N

Smiles

Cn1c(n[nH]c1=O)c2ccccc2

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.