3-piperidin-1-yl-1H-pyridazin-6-one

C9H13N3O — CID 13274968

IUPAC3-piperidin-1-yl-1H-pyridazin-6-one
SMILESO=c1ccc(N2CCCCC2)n[nH]1
InChIInChI=1S/C9H13N3O/c13-9-5-4-8(10-11-9)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,11,13)
InChIKeyXFJRVCBSSKKEQC-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.76
Rot. Bonds1

About 3-piperidin-1-yl-1H-pyridazin-6-one

3-piperidin-1-yl-1H-pyridazin-6-one (PubChem CID 13274968) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-piperidin-1-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-piperidin-1-yl-1H-pyridazin-6-one
PubChem CID13274968
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-piperidin-1-yl-1H-pyridazin-6-one
SMILESO=c1ccc(N2CCCCC2)n[nH]1
InChIInChI=1S/C9H13N3O/c13-9-5-4-8(10-11-9)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,11,13)
InChIKeyXFJRVCBSSKKEQC-UHFFFAOYSA-N
XLogP0.76
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Pyrrolidin-1-ylpyridazin-3-ol
CID 13103526
3-piperidin-1-yl-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 168249962
6-(4,4-Difluoropiperidin-1-yl)pyridazin-3-ol
CID 121205030
6-(4-(Trifluoromethyl)piperidin-1-yl)pyridazin-3-ol
CID 121205031
6-(3-Aminopiperidin-1-YL)-2,3-dihydropyridazin-3-one
CID 124052724
6-(Piperazin-1-yl)pyridazin-3(2H)-one
CID 5121298
6-(4-Methylpiperidin-1-yl)pyridazin-3-ol
CID 10465204
6-(4-Methylpiperazin-1-yl)pyridazin-3-ol
CID 13103527
6-(Butylamino)pyridazin-3(2H)-one
CID 13274966
4-(6-Hydroxypyridazin-3-yl)piperazine, hydrobromide
CID 20437730
6-(Piperazin-1-yl)pyridazin-3-ol hydrochloride
CID 68509903
2-Methyl-6-piperidin-1-ylpyridazin-3-one
CID 69406970

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-1H-pyridazin-6-one?
The IUPAC name of 3-piperidin-1-yl-1H-pyridazin-6-one (CID 13274968) is 3-piperidin-1-yl-1H-pyridazin-6-one.
What is the SMILES notation for 3-piperidin-1-yl-1H-pyridazin-6-one?
The canonical SMILES for 3-piperidin-1-yl-1H-pyridazin-6-one is O=c1ccc(N2CCCCC2)n[nH]1.
What is the InChIKey of 3-piperidin-1-yl-1H-pyridazin-6-one?
The InChIKey is XFJRVCBSSKKEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9-5-4-8(10-11-9)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,11,13).
What are the key properties of 3-piperidin-1-yl-1H-pyridazin-6-one?
3-piperidin-1-yl-1H-pyridazin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-1H-pyridazin-6-one is sourced from PubChem (CID 13274968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).