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71290-70-5 | 1,4,6-trimethyl-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one
CAS No: 71290-70-5 Catalog No: AG019MHL MDL No:MFCD06661741
Product Description
Catalog Number:
AG019MHL
Chemical Name:
1,4,6-trimethyl-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one
CAS Number:
71290-70-5
Molecular Formula:
C9H11N3O
Molecular Weight:
177.2031
MDL Number:
MFCD06661741
IUPAC Name:
1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
InChI:
InChI=1S/C9H11N3O/c1-5-4-6(2)10-8-7(5)9(13)11-12(8)3/h4H,1-3H3,(H,11,13)
InChI Key:
XQCLUVVQJMLNAW-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(n1)n(C)[nH]c2=O
Properties
Complexity:
231
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:
3
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:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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