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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H9N3O2
Molecular Weight 239.2295
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHYL(1)BENZOFURO(2',3':4,5)PYRROLO(1,2-D)(1,2,4)TRIAZIN-4(3H)-ONE

SMILES

CC1=NNC(=O)C2=CC3=C(N12)C4=C(O3)C=CC=C4

InChI

InChIKey=XETMUEDGNYIKPB-UHFFFAOYSA-N
InChI=1S/C13H9N3O2/c1-7-14-15-13(17)9-6-11-12(16(7)9)8-4-2-3-5-10(8)18-11/h2-6H,1H3,(H,15,17)

HIDE SMILES / InChI

Molecular Formula C13H9N3O2
Molecular Weight 239.2295
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:14:26 GMT 2025
Edited
by admin
on Tue Apr 01 20:14:26 GMT 2025
Record UNII
PM6G8K0XPB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-374801
Preferred Name English
1-METHYL(1)BENZOFURO(2',3':4,5)PYRROLO(1,2-D)(1,2,4)TRIAZIN-4(3H)-ONE
Systematic Name English
4-METHYLBENZOFURO(2',3':4,5)PYRROLO(1,2-D)(1,2,4)TRIAZIN-1(2H)-ONE
Systematic Name English
BENZOFURO(2',3':4,5)PYRROLO(1,2-D)(1,2,4)TRIAZIN-1(2H)-ONE, 4-METHYL-
Systematic Name English
Code System Code Type Description
NSC
374801
Created by admin on Tue Apr 01 20:14:26 GMT 2025 , Edited by admin on Tue Apr 01 20:14:26 GMT 2025
PRIMARY
CAS
85277-02-7
Created by admin on Tue Apr 01 20:14:26 GMT 2025 , Edited by admin on Tue Apr 01 20:14:26 GMT 2025
PRIMARY
FDA UNII
PM6G8K0XPB
Created by admin on Tue Apr 01 20:14:26 GMT 2025 , Edited by admin on Tue Apr 01 20:14:26 GMT 2025
PRIMARY
PUBCHEM
341717
Created by admin on Tue Apr 01 20:14:26 GMT 2025 , Edited by admin on Tue Apr 01 20:14:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID10234470
Created by admin on Tue Apr 01 20:14:26 GMT 2025 , Edited by admin on Tue Apr 01 20:14:26 GMT 2025
PRIMARY