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ZERENEX ZX-OA012704

CAS No.:
1706461-12-2
Catalog Number:
AG01CA97
Molecular Formula:
C12H20N4O2
Molecular Weight:
252.3128
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Product Description
Catalog Number:
AG01CA97
Chemical Name:
ZERENEX ZX-OA012704
CAS Number:
1706461-12-2
Molecular Formula:
C12H20N4O2
Molecular Weight:
252.3128
MDL Number:
MFCD27986498
IUPAC Name:
tert-butyl 3-amino-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
InChI:
InChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)16-6-5-9-8(7-16)10(13)14-15(9)4/h5-7H2,1-4H3,(H2,13,14)
InChI Key:
MKSSGIMAPLQGBM-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)c(N)nn2C)OC(C)(C)C
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.159g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.318g/mol
Monoisotopic Mass:
252.159g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties