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126357-53-7 | Pyrazino[2,3-b]pyrazine-2,3-dicarbonitrile, 6,7-bis(butylamino)-
CAS No: 126357-53-7 Catalog No: AG000SP2 MDL No:
Product Description
Catalog Number:
AG000SP2
Chemical Name:
Pyrazino[2,3-b]pyrazine-2,3-dicarbonitrile, 6,7-bis(butylamino)-
CAS Number:
126357-53-7
Molecular Formula:
C16H20N8
Molecular Weight:
324.3836
IUPAC Name:
2,3-bis(butylamino)pyrazino[2,3-b]pyrazine-6,7-dicarbonitrile
InChI:
InChI=1S/C16H20N8/c1-3-5-7-19-13-14(20-8-6-4-2)24-16-15(23-13)21-11(9-17)12(10-18)22-16/h3-8H2,1-2H3,(H,19,21,23)(H,20,22,24)
InChI Key:
YNSMIYFZXVINTC-UHFFFAOYSA-N
SMILES:
CCCCNc1nc2nc(C#N)c(nc2nc1NCCCC)C#N
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.181g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.392g/mol
Monoisotopic Mass:
324.181g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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