11-{[(3-nitrophenyl)methyl]amino}-1,8,10,12-tetraazatricyclo[7.3.0.0³,?]dodeca-3(7),9,11-trien-2-one

11-{[(3-nitrophenyl)methyl]amino}-1,8,10,12-tetraazatricyclo[7.3.0.0³,?]dodeca-3(7),9,11-trien-2-one

Formula: C15H14N6O3

SMILES: [O-][N+](=O)C1=CC(CNC2=NN3C(NC4=C(CCC4)C3=O)=N2)=CC=C1

IUPAC: 11-{[(3-nitrophenyl)methyl]amino}-1,8,10,12-tetraazatricyclo[7.3.0.0³,?]dodeca-3(7),9,11-trien-2-one

InChI: InChI=1S/C15H14N6O3/c22-13-11-5-2-6-12(11)17-15-18-14(19-20(13)15)16-8-9-3-1-4-10(7-9)21(23)24/h1,3-4,7H,2,5-6,8H2,(H2,16,17,18,19)

Composition: C (55.21%), H (4.32%), N (25.75%), O (14.71%)

Molar Mass: 326.316

Atom Count: 38

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	326.112738335
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	IDYYMJQSMDGUMK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.19
Topological Polar Surface Area	114.98
Polarizability	31.32
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H14N6O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00