11-{[(4-methoxyphenyl)methyl]amino}-1,8,10,12-tetraazatricyclo[7.3.0.0³,?]dodeca-3(7),8,10-trien-2-one

11-{[(4-methoxyphenyl)methyl]amino}-1,8,10,12-tetraazatricyclo[7.3.0.0³,?]dodeca-3(7),8,10-trien-2-one

Formula: C16H17N5O2

SMILES: COC1=CC=C(CNC2=NC3=NC4=C(CCC4)C(=O)N3N2)C=C1

IUPAC: 11-{[(4-methoxyphenyl)methyl]amino}-1,8,10,12-tetraazatricyclo[7.3.0.0³,?]dodeca-3(7),8,10-trien-2-one

InChI: InChI=1S/C16H17N5O2/c1-23-11-7-5-10(6-8-11)9-17-15-19-16-18-13-4-2-3-12(13)14(22)21(16)20-15/h5-8H,2-4,9H2,1H3,(H2,17,18,19,20)

Composition: C (61.72%), H (5.50%), N (22.49%), O (10.28%)

Molar Mass: 311.345

Atom Count: 40

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	311.138224807
Formal Charge	0
FSP3	0.31
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	VLMGHFWCKGVRPD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.21
Topological Polar Surface Area	78.32
Polarizability	31.95
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H17N5O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00