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Substance Name: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-propyl-
RN: 117258-18-1
InChIKey: HZBQHUZXZWRDEP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-Cl-N3-O

Molecular Weight

  • 265.7424
 
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Names and Synonyms

Synonyms

  • 2,4-Dihydro-5-(4-chlorophenyl)-2-propyl-3H-1,2,4-triazol-3-one
  • BRN 4194825

Systematic Name

  • 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-propyl-

Registry Numbers

CAS Registry Number

  • 117258-18-1

System Generated Number

  • 0117258181

Structure Descriptors

InChI

1S/C13H16ClN3O/c1-3-9-17-13(18)16(4-2)12(15-17)10-5-7-11(14)8-6-10/h5-8H,3-4,9H2,1-2H3

InChIKey

HZBQHUZXZWRDEP-UHFFFAOYSA-N

Smiles

CCCn1c(=O)n(c(n1)c2ccc(cc2)Cl)CC

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.