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


Chemical Name: Pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one
CAS Number: 54346-27-9
Product Number: AG0038NN(AGN-PC-0WAIL0)
Synonyms:
MDL No:
Molecular Formula: C5H4N4O
Molecular Weight: 136.1115

Identification/Properties


Computed Properties
Molecular Weight:
136.114g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
136.039g/mol
Monoisotopic Mass:
136.039g/mol
Topological Polar Surface Area:
59.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
190
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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