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Details

Stereochemistry ACHIRAL
Molecular Formula C16H12F6N4O
Molecular Weight 390.2831
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (2E)-1-(5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)-2-BUTEN-1-ONE

SMILES

FC1=CC(F)=C(C\C=C\C(=O)N2CCN3C(C2)=NN=C3C(F)(F)F)C=C1F

InChI

InChIKey=QSSHJJFVCWMIKH-HNQUOIGGSA-N
InChI=1S/C16H12F6N4O/c17-10-7-12(19)11(18)6-9(10)2-1-3-14(27)25-4-5-26-13(8-25)23-24-15(26)16(20,21)22/h1,3,6-7H,2,4-5,8H2/b3-1+

HIDE SMILES / InChI

Molecular Formula C16H12F6N4O
Molecular Weight 390.2831
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:43:48 GMT 2025
Edited
by admin
on Mon Mar 31 23:43:48 GMT 2025
Record UNII
BA5DQ297BM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-BUTEN-1-ONE, 1-(5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)-, (2E)-
Preferred Name English
(2E)-1-(5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)-2-BUTEN-1-ONE
Systematic Name English
(E)-1-(3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-(1,2,4) TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUT-2-EN-1-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
49783992
Created by admin on Mon Mar 31 23:43:48 GMT 2025 , Edited by admin on Mon Mar 31 23:43:48 GMT 2025
PRIMARY
CAS
1253056-18-6
Created by admin on Mon Mar 31 23:43:48 GMT 2025 , Edited by admin on Mon Mar 31 23:43:48 GMT 2025
PRIMARY
CAS
1675201-13-4
Created by admin on Mon Mar 31 23:43:48 GMT 2025 , Edited by admin on Mon Mar 31 23:43:48 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
BA5DQ297BM
Created by admin on Mon Mar 31 23:43:48 GMT 2025 , Edited by admin on Mon Mar 31 23:43:48 GMT 2025
PRIMARY