1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol

C13H15N3OS — CID 56770286

IUPAC1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol
SMILESOC1CCCN(c2ccc(-c3cccs3)nn2)C1
InChIInChI=1S/C13H15N3OS/c17-10-3-1-7-16(9-10)13-6-5-11(14-15-13)12-4-2-8-18-12/h2,4-6,8,10,17H,1,3,7,9H2
InChIKeyOBNHUBBPLFRQEZ-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.17
Rot. Bonds2

About 1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol

1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol (PubChem CID 56770286) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol
PubChem CID56770286
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol
SMILESOC1CCCN(c2ccc(-c3cccs3)nn2)C1
InChIInChI=1S/C13H15N3OS/c17-10-3-1-7-16(9-10)13-6-5-11(14-15-13)12-4-2-8-18-12/h2,4-6,8,10,17H,1,3,7,9H2
InChIKeyOBNHUBBPLFRQEZ-UHFFFAOYSA-N
XLogP2.17
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(2-bromophenyl)pyridazin-3-yl]piperidin-3-ol
CID 116972807
2-methyl-5-(6-thiophen-2-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 24824704
N-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071376
1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 126848882
1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol
CID 56770757
6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61435325
N-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071371
(3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 97104664
N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071432
N-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071367
N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 71805072
(3-phenylpyrrolidin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 20947300

Frequently Asked Questions

What is the IUPAC name of 1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol?
The IUPAC name of 1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol (CID 56770286) is 1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol.
What is the SMILES notation for 1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol?
The canonical SMILES for 1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol is OC1CCCN(c2ccc(-c3cccs3)nn2)C1.
What is the InChIKey of 1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol?
The InChIKey is OBNHUBBPLFRQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-10-3-1-7-16(9-10)13-6-5-11(14-15-13)12-4-2-8-18-12/h2,4-6,8,10,17H,1,3,7,9H2.
What are the key properties of 1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol?
1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol has a molecular weight of 261.35 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol is sourced from PubChem (CID 56770286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).