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769971-53-1 | 1,3-DIMETHYL-6-OXO-1H,6H,7H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBONITRILE
CAS No: 769971-53-1 Catalog No: AG01B7E8 MDL No:MFCD11890433
Product Description
Catalog Number:
AG01B7E8
Chemical Name:
1,3-DIMETHYL-6-OXO-1H,6H,7H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBONITRILE
CAS Number:
769971-53-1
Molecular Formula:
C9H8N4O
Molecular Weight:
188.1860
MDL Number:
MFCD11890433
IUPAC Name:
1,3-dimethyl-6-oxo-7H-pyrazolo[3,4-b]pyridine-5-carbonitrile
InChI:
InChI=1S/C9H8N4O/c1-5-7-3-6(4-10)9(14)11-8(7)13(2)12-5/h3H,1-2H3,(H,11,14)
InChI Key:
KOYJHHYPJFDVHN-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c(C)nn(c2[nH]c1=O)C
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.07g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.19g/mol
Monoisotopic Mass:
188.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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