U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H13N3O
Molecular Weight 215.2511
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-29981 FREE BASE

SMILES

CN1N=C(C)C2=C1OC3=CC=CC=C3CN2

InChI

InChIKey=DBDCZVJYMNTHLP-UHFFFAOYSA-N
InChI=1S/C12H13N3O/c1-8-11-12(15(2)14-8)16-10-6-4-3-5-9(10)7-13-11/h3-6,13H,7H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
A-29981 FREE BASE
Common Name English
1H-PYRAZOLO(3,4-B)(1,4)BENZOXAZEPINE, 4,5-DIHYDRO-1,3-DIMETHYL-
Preferred Name English
DIHYDRO-1,3-DIMETHYL-1H-PYRAZOLO(3,4-B)(1,4)-BENZOXAZEPINE, 4,5-
Systematic Name English
Code System Code Type Description
PUBCHEM
198140
Created by admin on Mon Mar 31 19:10:51 GMT 2025 , Edited by admin on Mon Mar 31 19:10:51 GMT 2025
PRIMARY
CAS
22086-97-1
Created by admin on Mon Mar 31 19:10:51 GMT 2025 , Edited by admin on Mon Mar 31 19:10:51 GMT 2025
PRIMARY
FDA UNII
1YPN9BFP87
Created by admin on Mon Mar 31 19:10:51 GMT 2025 , Edited by admin on Mon Mar 31 19:10:51 GMT 2025
PRIMARY