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Home Other Building Blocks Pyrazolo[1,5-a][1,3,5]triazin-4(3h)-one

Pyrazolo[1,5-a][1,3,5]triazin-4(3h)-one

CAS No.:
54346-27-9
Catalog Number:
AG0038NN
Molecular Formula:
C5H4N4O
Molecular Weight:
136.1115
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$125
- +
1g
97%
In Stock USA
United States
$300
- +
5g
97%
In Stock USA
United States
$900
- +
10g
97%
In Stock USA
United States
$1500
- +
25g
97%
In Stock USA
United States
$3000
- +
Product Description
Catalog Number:
AG0038NN
Chemical Name:
Pyrazolo[1,5-a][1,3,5]triazin-4(3h)-one
CAS Number:
54346-27-9
Molecular Formula:
C5H4N4O
Molecular Weight:
136.1115
MDL Number:
MFCD20617746
IUPAC Name:
3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
InChI:
InChI=1S/C5H4N4O/c10-5-7-3-6-4-1-2-8-9(4)5/h1-3H,(H,6,7,10)
InChI Key:
NYNNJBKGLLSTAZ-UHFFFAOYSA-N
SMILES:
O=c1[nH]cnc2n1ncc2
NSC Number:
168461
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.039g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
136.114g/mol
Monoisotopic Mass:
136.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
Title Journal
A general approach toward the synthesis of C-nucleoside pyrazolo[1,5-a]-1,3,5-triazines and their 3',5'-bisphosphate C-nucleotide analogues as the first reported in vivo stable P2Y(1)-receptor antagonists. The Journal of organic chemistry 20021115
Properties