2-piperidin-4-ylpyridazin-3-one

C9H13N3O — CID 68874673

IUPAC2-piperidin-4-ylpyridazin-3-one
SMILESO=c1cccnn1C1CCNCC1
InChIInChI=1S/C9H13N3O/c13-9-2-1-5-11-12(9)8-3-6-10-7-4-8/h1-2,5,8,10H,3-4,6-7H2
InChIKeyGONFHSRLMQKHTB-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.17
Rot. Bonds1

About 2-piperidin-4-ylpyridazin-3-one

2-piperidin-4-ylpyridazin-3-one (PubChem CID 68874673) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-piperidin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-piperidin-4-ylpyridazin-3-one
PubChem CID68874673
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-piperidin-4-ylpyridazin-3-one
SMILESO=c1cccnn1C1CCNCC1
InChIInChI=1S/C9H13N3O/c13-9-2-1-5-11-12(9)8-3-6-10-7-4-8/h1-2,5,8,10H,3-4,6-7H2
InChIKeyGONFHSRLMQKHTB-UHFFFAOYSA-N
XLogP0.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpyridazin-3-one?
The IUPAC name of 2-piperidin-4-ylpyridazin-3-one (CID 68874673) is 2-piperidin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-piperidin-4-ylpyridazin-3-one?
The canonical SMILES for 2-piperidin-4-ylpyridazin-3-one is O=c1cccnn1C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpyridazin-3-one?
The InChIKey is GONFHSRLMQKHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9-2-1-5-11-12(9)8-3-6-10-7-4-8/h1-2,5,8,10H,3-4,6-7H2.
What are the key properties of 2-piperidin-4-ylpyridazin-3-one?
2-piperidin-4-ylpyridazin-3-one has a molecular weight of 179.22 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpyridazin-3-one is sourced from PubChem (CID 68874673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).