Home Other Building Blocks 11,13-dimethyl-4,5,7,11,13-pentaazatricyclo[7.4.0.0,2,6]trideca-1,3,6,8-tetraene-10,12-dione

11,13-dimethyl-4,5,7,11,13-pentaazatricyclo[7.4.0.0,2,6]trideca-1,3,6,8-tetraene-10,12-dione

CAS No.:
1989659-57-5
Catalog Number:
AG01B6CC
Molecular Formula:
C10H9N5O2
Molecular Weight:
231.2108
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Product Description
Catalog Number:
AG01B6CC
Chemical Name:
11,13-dimethyl-4,5,7,11,13-pentaazatricyclo[7.4.0.0,2,6]trideca-1,3,6,8-tetraene-10,12-dione
CAS Number:
1989659-57-5
Molecular Formula:
C10H9N5O2
Molecular Weight:
231.2108
MDL Number:
MFCD30342693
IUPAC Name:
11,13-dimethyl-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-10,12-dione
InChI:
InChI=1S/C10H9N5O2/c1-14-7-5-4-12-13-8(5)11-3-6(7)9(16)15(2)10(14)17/h3-4H,1-2H3,(H,11,12,13)
InChI Key:
KYRFWDXXWMKXSF-UHFFFAOYSA-N
SMILES:
O=c1n(C)c(=O)c2c(n1C)c1cn[nH]c1nc2
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.076g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.215g/mol
Monoisotopic Mass:
231.076g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties