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54346-27-9 | Pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one
CAS No: 54346-27-9 Catalog No: AG0038NN MDL No:MFCD09746272
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:
MFCD09746272
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 |
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