4-[3-(dimethylamino)piperidin-1-yl]-1H-pyridazin-6-one

C11H18N4O — CID 114393186

IUPAC4-[3-(dimethylamino)piperidin-1-yl]-1H-pyridazin-6-one
SMILESCN(C)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C11H18N4O/c1-14(2)9-4-3-5-15(8-9)10-6-11(16)13-12-7-10/h6-7,9H,3-5,8H2,1-2H3,(H,13,16)
InChIKeyOMQYPQRAXSPSNG-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.30
Rot. Bonds2

About 4-[3-(dimethylamino)piperidin-1-yl]-1H-pyridazin-6-one

4-[3-(dimethylamino)piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 114393186) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[3-(dimethylamino)piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID114393186
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[3-(dimethylamino)piperidin-1-yl]-1H-pyridazin-6-one
SMILESCN(C)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C11H18N4O/c1-14(2)9-4-3-5-15(8-9)10-6-11(16)13-12-7-10/h6-7,9H,3-5,8H2,1-2H3,(H,13,16)
InChIKeyOMQYPQRAXSPSNG-UHFFFAOYSA-N
XLogP0.30
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-[3-(dimethylamino)piperidin-1-yl]-1H-pyridazin-6-one (CID 114393186) is 4-[3-(dimethylamino)piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[3-(dimethylamino)piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[3-(dimethylamino)piperidin-1-yl]-1H-pyridazin-6-one is CN(C)C1CCCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of 4-[3-(dimethylamino)piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is OMQYPQRAXSPSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14(2)9-4-3-5-15(8-9)10-6-11(16)13-12-7-10/h6-7,9H,3-5,8H2,1-2H3,(H,13,16).
What are the key properties of 4-[3-(dimethylamino)piperidin-1-yl]-1H-pyridazin-6-one?
4-[3-(dimethylamino)piperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 114393186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).