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Substance Name: 1H-1,2,4-Triazole, 5-phenyl-
RN: 3357-42-4
InChIKey: NYMLZIFRPNYAHS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-N3

Molecular Weight

  • 145.164
 
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Names and Synonyms

Synonyms

  • 2-Fenil-1,3,4-triazolo
  • 2-Fenil-1,3,4-triazolo [Italian]
  • 5-Phenyl-1H-1,2,4-triazole

Systematic Name

  • 1H-1,2,4-Triazole, 5-phenyl-

Registry Numbers

CAS Registry Number

  • 3357-42-4

System Generated Number

  • 0003357424

Structure Descriptors

InChI

1S/C8H7N3/c1-2-4-7(5-3-1)8-9-6-10-11-8/h1-6H,(H,9,10,11)

InChIKey

NYMLZIFRPNYAHS-UHFFFAOYSA-N

Smiles

c1(c2ccccc2)nc[nH]n1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 387mg/kg (387mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Farmaco, Edizione Scientifica. Vol. 13, Pg. 629, 1958.
rat LD05 intraperitoneal 252mg/kg (252mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 42, 1966.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.54 (none)   EXP
Water Solubility 3850 mg/L 25 EST
Vapor Pressure 6.79E-05 mm Hg 25 EST
Henry's Law Constant 1.17E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.56E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.