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Home > Other Heterocycles > 5654-83-1
5654-83-1 | 1,4-Diazabicyclo[4.3.0]nonane
CAS No: 5654-83-1 Catalog No: AG003DNP MDL No:MFCD00082600
Product Description
Catalog Number:
AG003DNP
Chemical Name:
1,4-Diazabicyclo[4.3.0]nonane
CAS Number:
5654-83-1
Molecular Formula:
C7H14N2
Molecular Weight:
126.1995
MDL Number:
MFCD00082600
IUPAC Name:
1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
InChI:
InChI=1S/C7H14N2/c1-2-7-6-8-3-5-9(7)4-1/h7-8H,1-6H2
InChI Key:
FTTATHOUSOIFOQ-UHFFFAOYSA-N
SMILES:
N1CCN2C(C1)CCC2
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.116g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.203g/mol
Monoisotopic Mass:
126.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Novel bicyclic piperazine derivatives of triazolotriazine and triazolopyrimidines as highly potent and selective adenosine A2A receptor antagonists. | Journal of medicinal chemistry 20041202 |
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