5-Oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile


Chemical Name: 5-Oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CAS Number: 1224288-95-2
Product Number: AG00177O(AGN-PC-0WABL4)
Synonyms:
MDL No: MFCD22682804
Molecular Formula: C7H4N4O
Molecular Weight: 160.1329

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
160.136g/mol
XLogP3:
-0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
160.039g/mol
Monoisotopic Mass:
160.039g/mol
Topological Polar Surface Area:
70.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
289
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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