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Home > Pyridines > 1558335-92-4
1558335-92-4 | 5-methyl-2H,3H,3aH,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-3-one
CAS No: 1558335-92-4 Catalog No: AG01BIBL MDL No:MFCD30498622
Product Description
Catalog Number:
AG01BIBL
Chemical Name:
5-methyl-2H,3H,3aH,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-3-one
CAS Number:
1558335-92-4
Molecular Formula:
C7H11N3O
Molecular Weight:
153.1817
MDL Number:
MFCD30498622
IUPAC Name:
5-methyl-2,3a,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one
InChI:
InChI=1S/C7H11N3O/c1-4-2-5-6(3-8-4)9-10-7(5)11/h4-5,8H,2-3H2,1H3,(H,10,11)
InChI Key:
KZPGJKFCDQKKBP-UHFFFAOYSA-N
SMILES:
CC1NCC2=NNC(=O)C2C1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.185g/mol
Monoisotopic Mass:
153.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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