5-methyl-2,6,7,12-tetraazatricyclo[7.5.0.0³,?]tetradeca-1(9),3,5-trien-8-one hydrochloride

5-methyl-2,6,7,12-tetraazatricyclo[7.5.0.0³,?]tetradeca-1(9),3,5-trien-8-one hydrochloride

CAS: 1185295-31-1

Formula: C11H15ClN4O

SMILES: Cl.CC1=NN2C(NC3=C(CCNCC3)C2=O)=C1

IUPAC: 5-methyl-2,6,7,12-tetraazatricyclo[7.5.0.0³,?]tetradeca-1(9),3,5-trien-8-one hydrochloride

InChI: InChI=1S/C11H14N4O.ClH/c1-7-6-10-13-9-3-5-12-4-2-8(9)11(16)15(10)14-7;/h6,12-13H,2-5H2,1H3;1H

Composition: C (51.87%), H (5.94%), Cl (13.92%), N (22.00%), O (6.28%)

Molar Mass: 254.72

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	254.0934388
Formal Charge	0
FSP3	0.45
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	RTEXGHKDNFVSDR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.7
Topological Polar Surface Area	58.95
Polarizability	22.82
Ring Count	3
Rotatable Bond Count	0

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1185295-31-1		$331.55-$510.15$331.55$510.15