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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H10F3N5
Molecular Weight 305.2579
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(5-TETRAZOLYL)-N-(3-TRIFLUOROMETHYLPHENYL) ANILINE

SMILES

FC(F)(F)C1=CC=CC(NC2=CC=CC=C2C3=NN=NN3)=C1

InChI

InChIKey=JPEXITLSZOMSFC-UHFFFAOYSA-N
InChI=1S/C14H10F3N5/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13-19-21-22-20-13/h1-8,18H,(H,19,20,21,22)

HIDE SMILES / InChI

Molecular Formula C14H10F3N5
Molecular Weight 305.2579
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 Mon Mar 31 17:45:36 GMT 2025
Edited
by admin
on Mon Mar 31 17:45:36 GMT 2025
Record UNII
X5GS2Y5HNJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(5-TETRAZOLYL)-N-(3-TRIFLUOROMETHYLPHENYL) ANILINE
Systematic Name English
BENZENAMINE, 2-(2H-TETRAZOL-5-YL)-N-(3-(TRIFLUOROMETHYL)PHENYL)-
Preferred Name English
Code System Code Type Description
CAS
13481-63-5
Created by admin on Mon Mar 31 17:45:36 GMT 2025 , Edited by admin on Mon Mar 31 17:45:36 GMT 2025
PRIMARY
CAS
22193-73-3
Created by admin on Mon Mar 31 17:45:36 GMT 2025 , Edited by admin on Mon Mar 31 17:45:36 GMT 2025
SUPERSEDED
EPA CompTox
DTXSID70158961
Created by admin on Mon Mar 31 17:45:36 GMT 2025 , Edited by admin on Mon Mar 31 17:45:36 GMT 2025
PRIMARY
PUBCHEM
202904
Created by admin on Mon Mar 31 17:45:36 GMT 2025 , Edited by admin on Mon Mar 31 17:45:36 GMT 2025
PRIMARY
FDA UNII
X5GS2Y5HNJ
Created by admin on Mon Mar 31 17:45:36 GMT 2025 , Edited by admin on Mon Mar 31 17:45:36 GMT 2025
PRIMARY