4-methyl-2-piperidin-3-ylpyridazin-3-one

C10H15N3O — CID 166162695

IUPAC4-methyl-2-piperidin-3-ylpyridazin-3-one
SMILESCc1ccnn(C2CCCNC2)c1=O
InChIInChI=1S/C10H15N3O/c1-8-4-6-12-13(10(8)14)9-3-2-5-11-7-9/h4,6,9,11H,2-3,5,7H2,1H3
InChIKeyYFICGKXYZDPFTA-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.48
Rot. Bonds1

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

4-methyl-2-piperidin-3-ylpyridazin-3-one (PubChem CID 166162695) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-methyl-2-piperidin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name4-methyl-2-piperidin-3-ylpyridazin-3-one
PubChem CID166162695
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-methyl-2-piperidin-3-ylpyridazin-3-one
SMILESCc1ccnn(C2CCCNC2)c1=O
InChIInChI=1S/C10H15N3O/c1-8-4-6-12-13(10(8)14)9-3-2-5-11-7-9/h4,6,9,11H,2-3,5,7H2,1H3
InChIKeyYFICGKXYZDPFTA-UHFFFAOYSA-N
XLogP0.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperidin-3-ylpyridazin-3-one?
The IUPAC name of 4-methyl-2-piperidin-3-ylpyridazin-3-one (CID 166162695) is 4-methyl-2-piperidin-3-ylpyridazin-3-one.
What is the SMILES notation for 4-methyl-2-piperidin-3-ylpyridazin-3-one?
The canonical SMILES for 4-methyl-2-piperidin-3-ylpyridazin-3-one is Cc1ccnn(C2CCCNC2)c1=O.
What is the InChIKey of 4-methyl-2-piperidin-3-ylpyridazin-3-one?
The InChIKey is YFICGKXYZDPFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8-4-6-12-13(10(8)14)9-3-2-5-11-7-9/h4,6,9,11H,2-3,5,7H2,1H3.
What are the key properties of 4-methyl-2-piperidin-3-ylpyridazin-3-one?
4-methyl-2-piperidin-3-ylpyridazin-3-one has a molecular weight of 193.25 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperidin-3-ylpyridazin-3-one is sourced from PubChem (CID 166162695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).