2-[3-(4-methylphenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyrazine

2-[3-(4-methylphenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyrazine

Formula: C15H12N6OS

SMILES: CC1=CC=C(OCC2=NN=C3SC(=NN23)C2=CN=CC=N2)C=C1

IUPAC: 2-{3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}pyrazine

InChI: InChI=1S/C15H12N6OS/c1-10-2-4-11(5-3-10)22-9-13-18-19-15-21(13)20-14(23-15)12-8-16-6-7-17-12/h2-8H,9H2,1H3

Composition: C (55.54%), H (3.73%), N (25.91%), O (4.93%), S (9.88%)

Molar Mass: 324.36

Atom Count: 35

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	324.079330204
Formal Charge	0
FSP3	0.13
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	MLBKLMTUIDRYSK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.69
Topological Polar Surface Area	78.09
Polarizability	32.64
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H12N6OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00