Home Other Building Blocks (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8h)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-2-amine

(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8h)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-2-amine

CAS No.:
767340-03-4
Catalog Number:
AG0036IO
Molecular Formula:
C16H13F6N5O
Molecular Weight:
405.2977
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$23
- +
5g
95%
In Stock USA
United States
$68
- +
10g
95%
In Stock USA
United States
$113
- +
25g
95%
In Stock USA
United States
$225
- +
100g
95%
In Stock USA
United States
$738
- +
Product Description
Catalog Number:
AG0036IO
Chemical Name:
(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8h)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-2-amine
CAS Number:
767340-03-4
Molecular Formula:
C16H13F6N5O
Molecular Weight:
405.2977
MDL Number:
MFCD12031551
IUPAC Name:
(Z)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one
InChI:
InChI=1S/C16H13F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4-6H,1-3,7,23H2/b9-5-
InChI Key:
RLSFDUAUKXKPCZ-UITAMQMPSA-N
SMILES:
N/C(=C\C(=O)N1CCn2c(C1)nnc2C(F)(F)F)/Cc1cc(F)c(cc1F)F
EC Number:
616-378-0
Properties
Complexity:
617  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
405.102g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
405.304g/mol
Monoisotopic Mass:
405.102g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties