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1224288-95-2 | Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 4,5-dihydro-5-oxo-
CAS No: 1224288-95-2 Catalog No: AG00177O MDL No:MFCD22682804
Product Description
Catalog Number:
AG00177O
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 4,5-dihydro-5-oxo-
CAS Number:
1224288-95-2
Molecular Formula:
C7H4N4O
Molecular Weight:
160.1329
MDL Number:
MFCD22682804
IUPAC Name:
5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
InChI:
InChI=1S/C7H4N4O/c8-3-5-4-9-11-2-1-6(12)10-7(5)11/h1-2,4H,(H,10,12)
InChI Key:
XRHFRTVUQRUCPE-UHFFFAOYSA-N
SMILES:
N#Cc1cnn2c1[nH]c(=O)cc2
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.039g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.136g/mol
Monoisotopic Mass:
160.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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