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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H13FN6O
Molecular Weight 288.2803
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-Fluorophenyl)-1,3-di(1h-1,2,4-triazol-1-yl)propan-2-ol

SMILES

OC(CN1C=NC=N1)(CN2C=NC=N2)C3=C(F)C=CC=C3

InChI

InChIKey=RNDOCECJXXXHPX-UHFFFAOYSA-N
InChI=1S/C13H13FN6O/c14-12-4-2-1-3-11(12)13(21,5-19-9-15-7-17-19)6-20-10-16-8-18-20/h1-4,7-10,21H,5-6H2

HIDE SMILES / InChI

Molecular Formula C13H13FN6O
Molecular Weight 288.2803
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 Sat Dec 16 19:49:25 GMT 2023
Edited
by admin
on Sat Dec 16 19:49:25 GMT 2023
Record UNII
QRY8W3JF3N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-Fluorophenyl)-1,3-di(1h-1,2,4-triazol-1-yl)propan-2-ol
Systematic Name English
α-(2-Fluorophenyl)-α-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol
Systematic Name English
1H-1,2,4-Triazole-1-ethanol, α-(2-fluorophenyl)-α-(1H-1,2,4-triazol-1-ylmethyl)-
Systematic Name English
Code System Code Type Description
CAS
1348664-75-4
Created by admin on Sat Dec 16 19:49:25 GMT 2023 , Edited by admin on Sat Dec 16 19:49:25 GMT 2023
PRIMARY
PUBCHEM
86775712
Created by admin on Sat Dec 16 19:49:25 GMT 2023 , Edited by admin on Sat Dec 16 19:49:25 GMT 2023
PRIMARY
FDA UNII
QRY8W3JF3N
Created by admin on Sat Dec 16 19:49:25 GMT 2023 , Edited by admin on Sat Dec 16 19:49:25 GMT 2023
PRIMARY