2-[(2R)-2-hydroxypropyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one

C13H21N3O2 — CID 104920975

IUPAC2-[(2R)-2-hydroxypropyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
SMILESCC1CCN(c2cnn(C[C@@H](C)O)c(=O)c2)CC1
InChIInChI=1S/C13H21N3O2/c1-10-3-5-15(6-4-10)12-7-13(18)16(14-8-12)9-11(2)17/h7-8,10-11,17H,3-6,9H2,1-2H3/t11-/m1/s1
InChIKeySTWPHJFPQWBJSJ-LLVKDONJSA-N
MW251.33 g/mol
LogP0.86
Rot. Bonds3

About 2-[(2R)-2-hydroxypropyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one

2-[(2R)-2-hydroxypropyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one (PubChem CID 104920975) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(2R)-2-hydroxypropyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2R)-2-hydroxypropyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
PubChem CID104920975
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[(2R)-2-hydroxypropyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
SMILESCC1CCN(c2cnn(C[C@@H](C)O)c(=O)c2)CC1
InChIInChI=1S/C13H21N3O2/c1-10-3-5-15(6-4-10)12-7-13(18)16(14-8-12)9-11(2)17/h7-8,10-11,17H,3-6,9H2,1-2H3/t11-/m1/s1
InChIKeySTWPHJFPQWBJSJ-LLVKDONJSA-N
XLogP0.86
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-hydroxypropyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[(2R)-2-hydroxypropyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one (CID 104920975) is 2-[(2R)-2-hydroxypropyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[(2R)-2-hydroxypropyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[(2R)-2-hydroxypropyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one is CC1CCN(c2cnn(C[C@@H](C)O)c(=O)c2)CC1.
What is the InChIKey of 2-[(2R)-2-hydroxypropyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The InChIKey is STWPHJFPQWBJSJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-3-5-15(6-4-10)12-7-13(18)16(14-8-12)9-11(2)17/h7-8,10-11,17H,3-6,9H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-[(2R)-2-hydroxypropyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
2-[(2R)-2-hydroxypropyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one has a molecular weight of 251.33 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-hydroxypropyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 104920975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).