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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H9N5O2
Molecular Weight 267.2429
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYL-2-(1H-TETRAAZOL-5-YL)PYRANO(3,2-B)INDOL-4(5H)-ONE

SMILES

CN1C2=C(C=CC=C2)C3=C1C(=O)C=C(O3)C4=NN=NN4

InChI

InChIKey=NPXNAEKNDFKQAM-UHFFFAOYSA-N
InChI=1S/C13H9N5O2/c1-18-8-5-3-2-4-7(8)12-11(18)9(19)6-10(20-12)13-14-16-17-15-13/h2-6H,1H3,(H,14,15,16,17)

HIDE SMILES / InChI

Molecular Formula C13H9N5O2
Molecular Weight 267.2429
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 19:36:04 GMT 2025
Edited
by admin
on Tue Apr 01 19:36:04 GMT 2025
Record UNII
NP0EPP56BQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-371661
Preferred Name English
5-METHYL-2-(1H-TETRAAZOL-5-YL)PYRANO(3,2-B)INDOL-4(5H)-ONE
Systematic Name English
5-METHYL-2-(2H-TETRAZOL-5-YL)PYRANO(3,2-B)INDOL-4(5H)-ONE
Systematic Name English
PYRANO(3,2-B)INDOL-4(5H)-ONE, 5-METHYL-2-(2H-TETRAZOL-5-YL)-
Systematic Name English
PYRANO(3,2-B)INDOL-4(5H)-ONE, 5-METHYL-2-(1H-TETRAZOL-5-YL)-
Systematic Name English
Code System Code Type Description
FDA UNII
NP0EPP56BQ
Created by admin on Tue Apr 01 19:36:04 GMT 2025 , Edited by admin on Tue Apr 01 19:36:04 GMT 2025
PRIMARY
NSC
371661
Created by admin on Tue Apr 01 19:36:04 GMT 2025 , Edited by admin on Tue Apr 01 19:36:04 GMT 2025
PRIMARY
PUBCHEM
340640
Created by admin on Tue Apr 01 19:36:04 GMT 2025 , Edited by admin on Tue Apr 01 19:36:04 GMT 2025
PRIMARY
EPA CompTox
DTXSID40220720
Created by admin on Tue Apr 01 19:36:04 GMT 2025 , Edited by admin on Tue Apr 01 19:36:04 GMT 2025
PRIMARY
CAS
70458-61-6
Created by admin on Tue Apr 01 19:36:04 GMT 2025 , Edited by admin on Tue Apr 01 19:36:04 GMT 2025
PRIMARY