4,10,12-trimethyl-3,5,8,10,12-pentaazatricyclo[7.4.0.0²,?]trideca-1(9),2(6),4,7-tetraene-11,13-dione

4,10,12-trimethyl-3,5,8,10,12-pentaazatricyclo[7.4.0.0²,?]trideca-1(9),2(6),4,7-tetraene-11,13-dione

CAS: 405925-71-5

Formula: C11H11N5O2

SMILES: CN1C(=O)N(C)C2=C(C3=C(C=N2)N=C(C)N3)C1=O

IUPAC: 4,10,12-trimethyl-3,5,8,10,12-pentaazatricyclo[7.4.0.0²,?]trideca-1(9),2(6),4,7-tetraene-11,13-dione

InChI: InChI=1S/C11H11N5O2/c1-5-13-6-4-12-9-7(8(6)14-5)10(17)16(3)11(18)15(9)2/h4H,1-3H3,(H,13,14)

Composition: C (53.87%), H (4.52%), N (28.56%), O (13.05%)

Molar Mass: 245.242

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	245.091274614
Formal Charge	0
FSP3	0.27
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	AFCAYMLJGXZGQS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.3
Topological Polar Surface Area	82.19
Polarizability	24.39
Ring Count	3
Rotatable Bond Count	0

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