2-methyl-5-piperidin-1-ylpyridazin-3-one

C10H15N3O — CID 13103626

IUPAC2-methyl-5-piperidin-1-ylpyridazin-3-one
SMILESCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C10H15N3O/c1-12-10(14)7-9(8-11-12)13-5-3-2-4-6-13/h7-8H,2-6H2,1H3
InChIKeyCOZJGAUHCGCZRL-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.77
Rot. Bonds1

About 2-methyl-5-piperidin-1-ylpyridazin-3-one

2-methyl-5-piperidin-1-ylpyridazin-3-one (PubChem CID 13103626) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-methyl-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-piperidin-1-ylpyridazin-3-one
PubChem CID13103626
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-methyl-5-piperidin-1-ylpyridazin-3-one
SMILESCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C10H15N3O/c1-12-10(14)7-9(8-11-12)13-5-3-2-4-6-13/h7-8H,2-6H2,1H3
InChIKeyCOZJGAUHCGCZRL-UHFFFAOYSA-N
XLogP0.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-methyl-5-piperidin-1-ylpyridazin-3-one (CID 13103626) is 2-methyl-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-methyl-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-methyl-5-piperidin-1-ylpyridazin-3-one is Cn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-methyl-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is COZJGAUHCGCZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-12-10(14)7-9(8-11-12)13-5-3-2-4-6-13/h7-8H,2-6H2,1H3.
What are the key properties of 2-methyl-5-piperidin-1-ylpyridazin-3-one?
2-methyl-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 193.25 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 13103626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).