Home Other Building Blocks 2,6-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-5,7-dione

2,6-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-5,7-dione

CAS No.:
1423025-72-2
Catalog Number:
AG01A1SJ
Molecular Formula:
C8H9N3O2
Molecular Weight:
179.1760
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Product Description
Catalog Number:
AG01A1SJ
Chemical Name:
2,6-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-5,7-dione
CAS Number:
1423025-72-2
Molecular Formula:
C8H9N3O2
Molecular Weight:
179.1760
MDL Number:
MFCD22565936
IUPAC Name:
2,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
InChI:
InChI=1S/C8H9N3O2/c1-4-3-6-9-7(12)5(2)8(13)11(6)10-4/h3,5H,1-2H3,(H,9,12)
InChI Key:
UABMKFNHZHACRX-UHFFFAOYSA-N
SMILES:
O=C1Nc2cc(nn2C(=O)C1C)C
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.069g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.179g/mol
Monoisotopic Mass:
179.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties