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1246551-25-6 | Imidazo[1,5-a]pyrazine-7(1H)-carboxylic acid, hexahydro-3-oxo-, 1,1-dimethylethyl ester
CAS No: 1246551-25-6 Catalog No: AG000MJB MDL No:MFCD18711442
Product Description
Catalog Number:
AG000MJB
Chemical Name:
Imidazo[1,5-a]pyrazine-7(1H)-carboxylic acid, hexahydro-3-oxo-, 1,1-dimethylethyl ester
CAS Number:
1246551-25-6
Molecular Formula:
C11H19N3O3
Molecular Weight:
241.2869
MDL Number:
MFCD18711442
IUPAC Name:
tert-butyl 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate
InChI:
InChI=1S/C11H19N3O3/c1-11(2,3)17-10(16)13-4-5-14-8(7-13)6-12-9(14)15/h8H,4-7H2,1-3H3,(H,12,15)
InChI Key:
DGPLYBDSJHLYKS-UHFFFAOYSA-N
SMILES:
O=C(N1CCN2C(C1)CNC2=O)OC(C)(C)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.143g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.291g/mol
Monoisotopic Mass:
241.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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