1-[6-(thiophen-2-yl)pyridazin-3-yl]piperidine-4-carboxylic acid

1-[6-(thiophen-2-yl)pyridazin-3-yl]piperidine-4-carboxylic acid

CAS: 1017117-60-0

Formula: C14H15N3O2S

SMILES: OC(=O)C1CCN(CC1)C1=CC=C(N=N1)C1=CC=CS1

IUPAC: 1-[6-(thiophen-2-yl)pyridazin-3-yl]piperidine-4-carboxylic acid

InChI: InChI=1S/C14H15N3O2S/c18-14(19)10-5-7-17(8-6-10)13-4-3-11(15-16-13)12-2-1-9-20-12/h1-4,9-10H,5-8H2,(H,18,19)

Composition: C (58.11%), H (5.23%), N (14.52%), O (11.06%), S (11.08%)

Molar Mass: 289.35

Atom Count: 35

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	289.088497909
Formal Charge	0
FSP3	0.36
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	IOMQGUSDJPKDLT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.54
Topological Polar Surface Area	66.32
Polarizability	30.14
Ring Count	3
Rotatable Bond Count	3

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