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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16F5N5O.ClH
Molecular Weight 425.784
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (R)-3-Amino-4-(2,5-difluorophenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)butan-1-one hydrochloride

SMILES

Cl.N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC3=CC(F)=CC=C3F

InChI

InChIKey=OPKGENHMHPEFFZ-RFVHGSKJSA-N
InChI=1S/C16H16F5N5O.ClH/c17-10-1-2-12(18)9(5-10)6-11(22)7-14(27)25-3-4-26-13(8-25)23-24-15(26)16(19,20)21;/h1-2,5,11H,3-4,6-8,22H2;1H/t11-;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H16F5N5O
Molecular Weight 389.3232
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:30:54 GMT 2025
Edited
by admin
on Wed Apr 02 17:30:54 GMT 2025
Record UNII
U4W59258K7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,4-Triazolo[4,3-a]pyrazine, 7-[(3R)-3-amino-4-(2,5-difluorophenyl)-1-oxobutyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-, monohydrochloride
Preferred Name English
(R)-3-Amino-4-(2,5-difluorophenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)butan-1-one hydrochloride
Systematic Name English
1-Butanone, 3-amino-4-(2,5-difluorophenyl)-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-, hydrochloride (1:1), (3R)-
Systematic Name English
Code System Code Type Description
FDA UNII
U4W59258K7
Created by admin on Wed Apr 02 17:30:54 GMT 2025 , Edited by admin on Wed Apr 02 17:30:54 GMT 2025
PRIMARY
PUBCHEM
11418876
Created by admin on Wed Apr 02 17:30:54 GMT 2025 , Edited by admin on Wed Apr 02 17:30:54 GMT 2025
PRIMARY
CAS
486459-70-5
Created by admin on Wed Apr 02 17:30:54 GMT 2025 , Edited by admin on Wed Apr 02 17:30:54 GMT 2025
PRIMARY