Home Other Building Blocks 6,10-Methano-7H-pyrazino[2,3-h][3]benzazepin-7-one,6,8,9,10-tetrahydro-

6,10-Methano-7H-pyrazino[2,3-h][3]benzazepin-7-one,6,8,9,10-tetrahydro-

CAS No.:
873302-30-8
Catalog Number:
AG004HOF
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
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Product Description
Catalog Number:
AG004HOF
Chemical Name:
6,10-Methano-7H-pyrazino[2,3-h][3]benzazepin-7-one,6,8,9,10-tetrahydro-
CAS Number:
873302-30-8
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
IUPAC Name:
5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-13-one
InChI:
InChI=1S/C13H11N3O/c17-13-10-3-7(6-16-13)8-4-11-12(5-9(8)10)15-2-1-14-11/h1-2,4-5,7,10H,3,6H2,(H,16,17)
InChI Key:
MQEPJJGUAJITEU-UHFFFAOYSA-N
SMILES:
O=C1NCC2CC1c1cc3nccnc3cc21
Properties
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.251g/mol
Monoisotopic Mass:
225.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties