4-piperidin-1-yl-1H-pyridazin-6-one;hydrochloride

C9H14ClN3O — CID 23448479

IUPAC4-piperidin-1-yl-1H-pyridazin-6-one;hydrochloride
SMILESCl.O=c1cc(N2CCCCC2)cn[nH]1
InChIInChI=1S/C9H13N3O.ClH/c13-9-6-8(7-10-11-9)12-4-2-1-3-5-12;/h6-7H,1-5H2,(H,11,13);1H
InChIKeyCPLNLLBANZBGRJ-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.18
Rot. Bonds1

About 4-piperidin-1-yl-1H-pyridazin-6-one;hydrochloride

4-piperidin-1-yl-1H-pyridazin-6-one;hydrochloride (PubChem CID 23448479) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-piperidin-1-yl-1H-pyridazin-6-one;hydrochloride.

Molecular Properties

Compound Name4-piperidin-1-yl-1H-pyridazin-6-one;hydrochloride
PubChem CID23448479
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name4-piperidin-1-yl-1H-pyridazin-6-one;hydrochloride
SMILESCl.O=c1cc(N2CCCCC2)cn[nH]1
InChIInChI=1S/C9H13N3O.ClH/c13-9-6-8(7-10-11-9)12-4-2-1-3-5-12;/h6-7H,1-5H2,(H,11,13);1H
InChIKeyCPLNLLBANZBGRJ-UHFFFAOYSA-N
XLogP1.18
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1H-pyridazin-6-one;hydrochloride?
The IUPAC name of 4-piperidin-1-yl-1H-pyridazin-6-one;hydrochloride (CID 23448479) is 4-piperidin-1-yl-1H-pyridazin-6-one;hydrochloride.
What is the SMILES notation for 4-piperidin-1-yl-1H-pyridazin-6-one;hydrochloride?
The canonical SMILES for 4-piperidin-1-yl-1H-pyridazin-6-one;hydrochloride is Cl.O=c1cc(N2CCCCC2)cn[nH]1.
What is the InChIKey of 4-piperidin-1-yl-1H-pyridazin-6-one;hydrochloride?
The InChIKey is CPLNLLBANZBGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.ClH/c13-9-6-8(7-10-11-9)12-4-2-1-3-5-12;/h6-7H,1-5H2,(H,11,13);1H.
What are the key properties of 4-piperidin-1-yl-1H-pyridazin-6-one;hydrochloride?
4-piperidin-1-yl-1H-pyridazin-6-one;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1H-pyridazin-6-one;hydrochloride is sourced from PubChem (CID 23448479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).