Home Other Building Blocks 1-(pyridin-4-yl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one hydrochloride

1-(pyridin-4-yl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one hydrochloride

CAS No.:
1803583-22-3
Catalog Number:
AG01BHNJ
Molecular Formula:
C10H8ClN5O
Molecular Weight:
249.6564
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Product Description
Catalog Number:
AG01BHNJ
Chemical Name:
1-(pyridin-4-yl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one hydrochloride
CAS Number:
1803583-22-3
Molecular Formula:
C10H8ClN5O
Molecular Weight:
249.6564
MDL Number:
MFCD28145336
IUPAC Name:
1-pyridin-4-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one;hydrochloride
InChI:
InChI=1S/C10H7N5O.ClH/c16-10-8-5-14-15(9(8)12-6-13-10)7-1-3-11-4-2-7;/h1-6H,(H,12,13,16);1H
InChI Key:
LNCUFKPEIFTUEJ-UHFFFAOYSA-N
SMILES:
O=c1[nH]cnc2c1cnn2c1ccncc1.Cl
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.042g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.658g/mol
Monoisotopic Mass:
249.042g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties