8-Bromo-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

CAS Registry Number®

71368-80-4

CAS Name

8-Bromo-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Molecular Formula

C17H13BrN4

Molecular Mass

353.22

Cite this Page

8-Bromo-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71368-80-4 (retrieved 2025-01-28) (CAS RN: 71368-80-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    272.0-275 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C17H13BrN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3

InChIKey

InChIKey=KCEIOBKDDQAYCM-UHFFFAOYSA-N

SMILES

CC=1N2C=3C(C(=NCC2=NN1)C4=CC=CC=C4)=CC(Br)=CC3

Canonical SMILES

BrC=1C=CC2=C(C1)C(=NCC3=NN=C(N32)C)C=4C=CC=CC4

Other Names for this Substance

  • 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-bromo-1-methyl-6-phenyl-
  • 8-Bromo-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
  • 8-Bromo-1-methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine