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

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

Formula: C16H17N5O

SMILES: CC1=CC=CC=C1CNC1=NN2C(NC3=C(CCC3)C2=O)=N1

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

InChI: InChI=1S/C16H17N5O/c1-10-5-2-3-6-11(10)9-17-15-19-16-18-13-8-4-7-12(13)14(22)21(16)20-15/h2-3,5-6H,4,7-9H2,1H3,(H2,17,18,19,20)

Composition: C (65.07%), H (5.80%), N (23.71%), O (5.42%)

Molar Mass: 295.346

Atom Count: 39

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	295.143310187
Formal Charge	0
FSP3	0.31
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	WPMUFFRGEXJVGB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.91
Topological Polar Surface Area	71.84
Polarizability	31.13
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H17N5O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00