2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;hydrochloride

C13H16ClN3OS — CID 6460999

IUPAC2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;hydrochloride
SMILESCl.O=c1ccc(-c2cccs2)nn1C1CCNCC1
InChIInChI=1S/C13H15N3OS.ClH/c17-13-4-3-11(12-2-1-9-18-12)15-16(13)10-5-7-14-8-6-10;/h1-4,9-10,14H,5-8H2;1H
InChIKeyKLHBUUBGZHOGKQ-UHFFFAOYSA-N
MW297.81 g/mol
LogP2.32
Rot. Bonds2

About 2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;hydrochloride

2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;hydrochloride (PubChem CID 6460999) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is 2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;hydrochloride
PubChem CID6460999
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;hydrochloride
SMILESCl.O=c1ccc(-c2cccs2)nn1C1CCNCC1
InChIInChI=1S/C13H15N3OS.ClH/c17-13-4-3-11(12-2-1-9-18-12)15-16(13)10-5-7-14-8-6-10;/h1-4,9-10,14H,5-8H2;1H
InChIKeyKLHBUUBGZHOGKQ-UHFFFAOYSA-N
XLogP2.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;hydrochloride?
The IUPAC name of 2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;hydrochloride (CID 6460999) is 2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;hydrochloride.
What is the SMILES notation for 2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;hydrochloride?
The canonical SMILES for 2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;hydrochloride is Cl.O=c1ccc(-c2cccs2)nn1C1CCNCC1.
What is the InChIKey of 2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;hydrochloride?
The InChIKey is KLHBUUBGZHOGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS.ClH/c17-13-4-3-11(12-2-1-9-18-12)15-16(13)10-5-7-14-8-6-10;/h1-4,9-10,14H,5-8H2;1H.
What are the key properties of 2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;hydrochloride?
2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;hydrochloride has a molecular weight of 297.81 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;hydrochloride is sourced from PubChem (CID 6460999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).