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Home > Pyridines > 155601-84-6
155601-84-6 | 1H-Pyrazolo[3,4-b]pyridine-3-carbonitrile, 6-(1-piperazinyl)-
CAS No: 155601-84-6 Catalog No: AG001O25 MDL No:
Product Description
Catalog Number:
AG001O25
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-3-carbonitrile, 6-(1-piperazinyl)-
CAS Number:
155601-84-6
Molecular Formula:
C11H12N6
Molecular Weight:
228.2532
IUPAC Name:
6-piperazin-1-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C11H12N6/c12-7-9-8-1-2-10(14-11(8)16-15-9)17-5-3-13-4-6-17/h1-2,13H,3-6H2,(H,14,15,16)
InChI Key:
AQYPCXBKZNQSOD-UHFFFAOYSA-N
SMILES:
N#Cc1n[nH]c2c1ccc(n2)N1CCNCC1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.112g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.259g/mol
Monoisotopic Mass:
228.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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