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57411-62-8 | 1,3,4-trimethyl-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
CAS No: 57411-62-8 Catalog No: AG019M01 MDL No:MFCD02324791
Product Description
Catalog Number:
AG019M01
Chemical Name:
1,3,4-trimethyl-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
CAS Number:
57411-62-8
Molecular Formula:
C9H11N3O
Molecular Weight:
177.2031
MDL Number:
MFCD02324791
IUPAC Name:
1,3,4-trimethyl-7H-pyrazolo[3,4-b]pyridin-6-one
InChI:
InChI=1S/C9H11N3O/c1-5-4-7(13)10-9-8(5)6(2)11-12(9)3/h4H,1-3H3,(H,10,13)
InChI Key:
CYLGJHAAHGAZHV-UHFFFAOYSA-N
SMILES:
O=c1cc(C)c2c([nH]1)n(C)nc2C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.207g/mol
Monoisotopic Mass:
177.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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