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2059974-49-9

2059974-49-9 | 1-(butan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-3-ol

CAS No: 2059974-49-9 Catalog No: AG01BO2M MDL No:MFCD30498634

Product Description

Catalog Number:
AG01BO2M
Chemical Name:
1-(butan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-3-ol
CAS Number:
2059974-49-9
Molecular Formula:
C10H17N3O
Molecular Weight:
195.2615
MDL Number:
MFCD30498634
IUPAC Name:
1-butan-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one
InChI:
InChI=1S/C10H17N3O/c1-3-7(2)13-9-6-11-5-4-8(9)10(14)12-13/h7,11H,3-6H2,1-2H3,(H,12,14)
InChI Key:
XAQWSSIWJRLEOH-UHFFFAOYSA-N
SMILES:
CCC(n1nc(c2c1CNCC2)O)C

Properties

Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.137g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.266g/mol
Monoisotopic Mass:
195.137g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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