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2060062-01-1 | 1,4-dimethyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-3-ol
CAS No: 2060062-01-1 Catalog No: AG01BO2K MDL No:MFCD30498632
Product Description
Catalog Number:
AG01BO2K
Chemical Name:
1,4-dimethyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-3-ol
CAS Number:
2060062-01-1
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
MDL Number:
MFCD30498632
IUPAC Name:
1,4-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one
InChI:
InChI=1S/C8H13N3O/c1-5-3-9-4-6-7(5)8(12)10-11(6)2/h5,9H,3-4H2,1-2H3,(H,10,12)
InChI Key:
MDYVIBOMLSYIRT-UHFFFAOYSA-N
SMILES:
CC1CNCc2c1c(O)nn2C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.212g/mol
Monoisotopic Mass:
167.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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