structure of 3-Isopropyl-1,2,3-benzotriazin-4(3H)-one

3-Isopropyl-1,2,3-benzotriazin-4(3H)-one

CAS No.: 10001-54-4
M. Wt: 189.21400
M. Fa: C10H11N3O
InChI Key: YDSIMHXQKSAODI-UHFFFAOYSA-N

Names and Identifiers of 10001-54-4

CAS Number

10001-54-4

MDL Number

MFCD01928815

IUPAC Name

3-propan-2-yl-1,2,3-benzotriazin-4-one

InChI

InChI=1S/C10H11N3O/c1-7(2)13-10(14)8-5-3-4-6-9(8)11-12-13/h3-7H,1-2H3

InChIKey

YDSIMHXQKSAODI-UHFFFAOYSA-N

Canonical SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=N1

UNSPSC Code

12352100

Physical and chemical properties of 10001-54-4

Exact Mass

189.09000

H Bond Acceptors

3

H Bond Donors

0

LogP

1.37240

Molecular Formula

C10H11N3O

Molecular Weight

189.21400

PSA

47.78000

Safety Information of 10001-54-4

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 10001-54-4

The applications of 3-Isopropyl-1,2,3-benzotriazin-4(3H)-one are primarily in organic synthesis and medicinal chemistry. Its structural characteristics make it a candidate for further modification to develop new pharmaceutical agents. Additionally, it may serve as an intermediate in synthesizing more complex molecules due to its reactive functional groups.

Interaction Studies of 10001-54-4

While specific interaction studies for 3-Isopropyl-1,2,3-benzotriazin-4(3H)-one are scarce, compounds within this class often exhibit interactions with biological macromolecules such as proteins and nucleic acids. Understanding these interactions is crucial for elucidating potential mechanisms of action and therapeutic effects.

Retrosynthesis analysis of 10001-54-4

  • Route#1

    Cas:30391-89-0
    Cas:10001-54-4