Home Carboxys 7-(Difluoromethyl)-5-methyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

7-(Difluoromethyl)-5-methyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS No.:
664992-04-5
Catalog Number:
AG00FD7Y
Molecular Formula:
C8H10F2N4O2
Molecular Weight:
232.1874
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$448
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Product Description
Catalog Number:
AG00FD7Y
Chemical Name:
7-(Difluoromethyl)-5-methyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CAS Number:
664992-04-5
Molecular Formula:
C8H10F2N4O2
Molecular Weight:
232.1874
MDL Number:
MFCD02243922
IUPAC Name:
7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
InChI:
InChI=1S/C8H10F2N4O2/c1-3-2-4(5(9)10)14-8(11-3)12-6(13-14)7(15)16/h3-5H,2H2,1H3,(H,15,16)(H,11,12,13)
InChI Key:
XYHOJJYLZCLYCM-UHFFFAOYSA-N
SMILES:
CC1CC(C(F)F)n2c(N1)nc(n2)C(=O)O
Properties
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.077g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
232.191g/mol
Monoisotopic Mass:
232.077g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties