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Substance Name: 1H-1,2,4-Triazole, 1-benzyl-
RN: 6085-94-5
InChIKey: BNWQEHYYXTVKOF-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C9-H9-N3

Molecular Weight

  • 159.191
 
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Names and Synonyms

Synonyms

  • 1-Benzyl-1,2,4-triazole
  • 1-Benzyl-1H-1,2,4-triazole
  • 1H-1,2,4-Triazole, 1-(phenylmethyl)-
  • 5-26-01-00148 (Beilstein Handbook Reference)
  • BRN 0118646
  • L-22080

Systematic Name

  • 1H-1,2,4-Triazole, 1-benzyl-

Registry Numbers

CAS Registry Number

  • 6085-94-5

System Generated Number

  • 0006085945

Structure Descriptors

InChI

1S/C9H9N3/c1-2-4-9(5-3-1)6-12-8-10-7-11-12/h1-5,7-8H,6H2

InChIKey

BNWQEHYYXTVKOF-UHFFFAOYSA-N

Smiles

c1(Cn2cncn2)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 720mg/kg (720mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ANTICONVULSANT
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 121, Pg. 443, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 49 deg C   EXP
log P (octanol-water) 0.92 (none)   EXP
Water Solubility 1.13E+04 mg/L 25 EST
Vapor Pressure 3.08E-03 mm Hg 25 EST
Henry's Law Constant 2.63E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.88E-12 cm3/molecule-sec 25 EST

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