3-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one

C10H15N3O — CID 121205956

IUPAC3-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one
SMILESCC1CCCCN1c1ccc(=O)[nH]n1
InChIInChI=1S/C10H15N3O/c1-8-4-2-3-7-13(8)9-5-6-10(14)12-11-9/h5-6,8H,2-4,7H2,1H3,(H,12,14)
InChIKeyVOZLFRZZWNUFDW-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.15
Rot. Bonds1

About 3-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one

3-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one (PubChem CID 121205956) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one
PubChem CID121205956
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one
SMILESCC1CCCCN1c1ccc(=O)[nH]n1
InChIInChI=1S/C10H15N3O/c1-8-4-2-3-7-13(8)9-5-6-10(14)12-11-9/h5-6,8H,2-4,7H2,1H3,(H,12,14)
InChIKeyVOZLFRZZWNUFDW-UHFFFAOYSA-N
XLogP1.15
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one (CID 121205956) is 3-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one is CC1CCCCN1c1ccc(=O)[nH]n1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one?
The InChIKey is VOZLFRZZWNUFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8-4-2-3-7-13(8)9-5-6-10(14)12-11-9/h5-6,8H,2-4,7H2,1H3,(H,12,14).
What are the key properties of 3-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one?
3-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one has a molecular weight of 193.25 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 121205956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).