2-(piperidin-3-ylmethyl)pyridazin-3-one

C10H15N3O — CID 62849964

IUPAC2-(piperidin-3-ylmethyl)pyridazin-3-one
SMILESO=c1cccnn1CC1CCCNC1
InChIInChI=1S/C10H15N3O/c14-10-4-2-6-12-13(10)8-9-3-1-5-11-7-9/h2,4,6,9,11H,1,3,5,7-8H2
InChIKeySXFVSACBHDDNHK-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.24
Rot. Bonds2

About 2-(piperidin-3-ylmethyl)pyridazin-3-one

2-(piperidin-3-ylmethyl)pyridazin-3-one (PubChem CID 62849964) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)pyridazin-3-one
PubChem CID62849964
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(piperidin-3-ylmethyl)pyridazin-3-one
SMILESO=c1cccnn1CC1CCCNC1
InChIInChI=1S/C10H15N3O/c14-10-4-2-6-12-13(10)8-9-3-1-5-11-7-9/h2,4,6,9,11H,1,3,5,7-8H2
InChIKeySXFVSACBHDDNHK-UHFFFAOYSA-N
XLogP0.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(piperidin-3-ylmethyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)pyridazin-3-one?
The IUPAC name of 2-(piperidin-3-ylmethyl)pyridazin-3-one (CID 62849964) is 2-(piperidin-3-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)pyridazin-3-one?
The canonical SMILES for 2-(piperidin-3-ylmethyl)pyridazin-3-one is O=c1cccnn1CC1CCCNC1.
What is the InChIKey of 2-(piperidin-3-ylmethyl)pyridazin-3-one?
The InChIKey is SXFVSACBHDDNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-10-4-2-6-12-13(10)8-9-3-1-5-11-7-9/h2,4,6,9,11H,1,3,5,7-8H2.
What are the key properties of 2-(piperidin-3-ylmethyl)pyridazin-3-one?
2-(piperidin-3-ylmethyl)pyridazin-3-one has a molecular weight of 193.25 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 62849964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).