3-[6-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoic acid

3-[6-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoic acid

Formula: C14H11ClN4O2

SMILES: OC(=O)CCC1=NN=C2C=CC(=NN12)C1=CC=CC(Cl)=C1

IUPAC: 3-[6-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoic acid

InChI: InChI=1S/C14H11ClN4O2/c15-10-3-1-2-9(8-10)11-4-5-12-16-17-13(19(12)18-11)6-7-14(20)21/h1-5,8H,6-7H2,(H,20,21)

Composition: C (55.55%), H (3.66%), Cl (11.71%), N (18.51%), O (10.57%)

Molar Mass: 302.72

Atom Count: 32

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	302.0570533
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	PGCCHCVIIFQWJU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.89
Topological Polar Surface Area	80.38
Polarizability	30.38
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H11ClN4O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00