3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone

CAS Registry Number®

58905-32-1

CAS Name

3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone

Molecular Formula

C8H13N3O

Molecular Mass

167.21

Cite this Page

3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58905-32-1 (retrieved 2024-11-22) (CAS RN: 58905-32-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    62-64 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H13N3O/c1-8(2,3)7(12)4-11-6-9-5-10-11/h5-6H,4H2,1-3H3

InChIKey

InChIKey=FMWWRALTYIWZEB-UHFFFAOYSA-N

SMILES

C(C(C)(C)C)(CN1C=NC=N1)=O

Canonical SMILES

O=C(CN1N=CN=C1)C(C)(C)C

Other Names for this Substance

  • 2-Butanone, 3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-
  • 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
  • 3,3-Dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one
  • 1,2,4-Triazol-1-ylpinacolin
  • 1-(1,2,4-Triazol-1-yl)-3,3-dimethyl-2-butanone

Deleted or Replaced CAS Registry Numbers

103026-71-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration