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Substance Name: 1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate
RN: 69226-78-4
InChIKey: CIYJQKNQFURUHV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H12-N6-O2.1/2H2-O

Molecular Weight

  • 538.5264
 
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Names and Synonyms

Synonyms

  • 5-(4-Acetamidophenyl)-3-ureido-s-triazole hemihydrate
  • Acetamide, N-(p-(3-ureido-5-(1H)-1,2,4-triazolyl)phenyl)-, hemihydrate

Systematic Name

  • 1H-1,2,4-Triazole, 5-(p-acetamidophenyl)-3-ureido-, hemihydrate

Registry Numbers

CAS Registry Number

  • 69226-78-4

System Generated Number

  • 0069226784

Molecular Formulas

Molecular Formula

  • C11-H12-N6-O2.1/2H2-O

Molecular Formula Fragments

  • C11-H12-N6-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C11H12N6O2.H2O/c2*1-6(18)13-8-4-2-7(3-5-8)9-14-11(17-16-9)15-10(12)19;/h2*2-5H,1H3,(H,13,18)(H4,12,14,15,16,17,19);1H2

InChIKey

CIYJQKNQFURUHV-UHFFFAOYSA-N

Smiles

CC(=O)Nc1ccc(cc1)c2nc([nH]n2)NC(=O)N.CC(=O)Nc1ccc(cc1)c2nc([nH]n2)NC(=O)N.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD05 intraperitoneal 256mg/kg (256mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 42, 1966.