Home Carbonyls 2-amino-6-(tert-butoxycarbonyl)-3-cyano-5-(dimethoxymethyl)pyrazine 1-oxide

2-amino-6-(tert-butoxycarbonyl)-3-cyano-5-(dimethoxymethyl)pyrazine 1-oxide

CAS No.:
73198-26-2
Catalog Number:
AG01DJOD
Molecular Formula:
C13H18N4O5
Molecular Weight:
310.3058
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Product Description
Catalog Number:
AG01DJOD
Chemical Name:
2-amino-6-(tert-butoxycarbonyl)-3-cyano-5-(dimethoxymethyl)pyrazine 1-oxide
CAS Number:
73198-26-2
Molecular Formula:
C13H18N4O5
Molecular Weight:
310.3058
MDL Number:
MFCD31803318
IUPAC Name:
tert-butyl 5-cyano-3-(dimethoxymethyl)-1-hydroxy-6-iminopyrazine-2-carboxylate
InChI:
InChI=1S/C13H18N4O5/c1-13(2,3)22-11(18)9-8(12(20-4)21-5)16-7(6-14)10(15)17(9)19/h12,15,19H,1-5H3
InChI Key:
ZGAAXMGDBGALDE-UHFFFAOYSA-N
SMILES:
COC(c1nc(C#N)c([n+](c1C(=O)OC(C)(C)C)[O-])N)OC
Properties
Complexity:
589  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.128g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
310.31g/mol
Monoisotopic Mass:
310.128g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties