2-piperidin-1-ylpyridazin-3-one

C9H13N3O — CID 174808695

IUPAC2-piperidin-1-ylpyridazin-3-one
SMILESO=c1cccnn1N1CCCCC1
InChIInChI=1S/C9H13N3O/c13-9-5-4-6-10-12(9)11-7-2-1-3-8-11/h4-6H,1-3,7-8H2
InChIKeyBFNQBPWQLAKUSF-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.37
Rot. Bonds1

About 2-piperidin-1-ylpyridazin-3-one

2-piperidin-1-ylpyridazin-3-one (PubChem CID 174808695) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-piperidin-1-ylpyridazin-3-one
PubChem CID174808695
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-piperidin-1-ylpyridazin-3-one
SMILESO=c1cccnn1N1CCCCC1
InChIInChI=1S/C9H13N3O/c13-9-5-4-6-10-12(9)11-7-2-1-3-8-11/h4-6H,1-3,7-8H2
InChIKeyBFNQBPWQLAKUSF-UHFFFAOYSA-N
XLogP0.37
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-piperidin-1-ylpyridazin-3-one (CID 174808695) is 2-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-piperidin-1-ylpyridazin-3-one is O=c1cccnn1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylpyridazin-3-one?
The InChIKey is BFNQBPWQLAKUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9-5-4-6-10-12(9)11-7-2-1-3-8-11/h4-6H,1-3,7-8H2.
What are the key properties of 2-piperidin-1-ylpyridazin-3-one?
2-piperidin-1-ylpyridazin-3-one has a molecular weight of 179.22 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 174808695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).