3-(1-ethylpiperidin-4-yl)-1H-pyridazin-6-one

C11H17N3O — CID 117105206

IUPAC3-(1-ethylpiperidin-4-yl)-1H-pyridazin-6-one
SMILESCCN1CCC(c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C11H17N3O/c1-2-14-7-5-9(6-8-14)10-3-4-11(15)13-12-10/h3-4,9H,2,5-8H2,1H3,(H,13,15)
InChIKeyHVBZCXAJRADUKF-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.97
Rot. Bonds2

About 3-(1-ethylpiperidin-4-yl)-1H-pyridazin-6-one

3-(1-ethylpiperidin-4-yl)-1H-pyridazin-6-one (PubChem CID 117105206) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-1H-pyridazin-6-one
PubChem CID117105206
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(1-ethylpiperidin-4-yl)-1H-pyridazin-6-one
SMILESCCN1CCC(c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C11H17N3O/c1-2-14-7-5-9(6-8-14)10-3-4-11(15)13-12-10/h3-4,9H,2,5-8H2,1H3,(H,13,15)
InChIKeyHVBZCXAJRADUKF-UHFFFAOYSA-N
XLogP0.97
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-1H-pyridazin-6-one (CID 117105206) is 3-(1-ethylpiperidin-4-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-1H-pyridazin-6-one is CCN1CCC(c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-1H-pyridazin-6-one?
The InChIKey is HVBZCXAJRADUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-14-7-5-9(6-8-14)10-3-4-11(15)13-12-10/h3-4,9H,2,5-8H2,1H3,(H,13,15).
What are the key properties of 3-(1-ethylpiperidin-4-yl)-1H-pyridazin-6-one?
3-(1-ethylpiperidin-4-yl)-1H-pyridazin-6-one has a molecular weight of 207.28 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 117105206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).