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Details

Stereochemistry ACHIRAL
Molecular Formula C13H12N4O2
Molecular Weight 256.26
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1H-INDOLE-3-ACETIC ACID, 5-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-

SMILES

OC(=O)CC1=CNC2=C1C=C(CN3C=NC=N3)C=C2

InChI

InChIKey=KACIHDPNKNLLMA-UHFFFAOYSA-N
InChI=1S/C13H12N4O2/c18-13(19)4-10-5-15-12-2-1-9(3-11(10)12)6-17-8-14-7-16-17/h1-3,5,7-8,15H,4,6H2,(H,18,19)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
TRIAZOLOMETHYL-INDOLE-3-ACETIC ACID
Preferred Name English
1H-INDOLE-3-ACETIC ACID, 5-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-
Systematic Name English
5-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-1H-INDOLE-3-ACETIC ACID
Systematic Name English
Code System Code Type Description
CAS
177270-91-6
Created by admin on Wed Apr 02 05:51:12 GMT 2025 , Edited by admin on Wed Apr 02 05:51:12 GMT 2025
PRIMARY
FDA UNII
N8W8CXB9JB
Created by admin on Wed Apr 02 05:51:12 GMT 2025 , Edited by admin on Wed Apr 02 05:51:12 GMT 2025
PRIMARY
PUBCHEM
10244117
Created by admin on Wed Apr 02 05:51:12 GMT 2025 , Edited by admin on Wed Apr 02 05:51:12 GMT 2025
PRIMARY
EPA CompTox
DTXSID40437270
Created by admin on Wed Apr 02 05:51:12 GMT 2025 , Edited by admin on Wed Apr 02 05:51:12 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of RIZATRIPTAN
NIH
NCATS
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