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1215852-11-1 | 1,2,4-Triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylic acid, 5,6-dihydro-, 7-(1,1-dimethylethyl) 3-ethyl ester
CAS No: 1215852-11-1 Catalog No: AG0015BE MDL No:MFCD11616512
Product Description
Catalog Number:
AG0015BE
Chemical Name:
1,2,4-Triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylic acid, 5,6-dihydro-, 7-(1,1-dimethylethyl) 3-ethyl ester
CAS Number:
1215852-11-1
Molecular Formula:
C13H20N4O4
Molecular Weight:
296.3223
MDL Number:
MFCD11616512
IUPAC Name:
7-O-tert-butyl 3-O-ethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxylate
InChI:
InChI=1S/C13H20N4O4/c1-5-20-11(18)10-15-14-9-8-16(6-7-17(9)10)12(19)21-13(2,3)4/h5-8H2,1-4H3
InChI Key:
MNWBJXRJIWJHHY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnc2n1CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.148g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.327g/mol
Monoisotopic Mass:
296.148g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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