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87412-86-0 | 1,3-Dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H);-one
CAS No: 87412-86-0 Catalog No: AG004JPF MDL No:MFCD09901802
Product Description
Catalog Number:
AG004JPF
Chemical Name:
1,3-Dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H);-one
CAS Number:
87412-86-0
Molecular Formula:
C7H8N4O
Molecular Weight:
164.1646
MDL Number:
MFCD09901802
IUPAC Name:
1,3-dimethyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C7H8N4O/c1-4-5-6(11(2)10-4)8-3-9-7(5)12/h3H,1-2H3,(H,8,9,12)
InChI Key:
LBJDDQKURCNLKC-UHFFFAOYSA-N
SMILES:
Cc1nn(c2c1c(=O)[nH]cn2)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.07g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.168g/mol
Monoisotopic Mass:
164.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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