4-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one

C10H15N3O2 — CID 103241488

IUPAC4-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one
SMILESCN1CCC(Oc2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C10H15N3O2/c1-13-4-2-8(3-5-13)15-9-6-10(14)12-11-7-9/h6-8H,2-5H2,1H3,(H,12,14)
InChIKeyBYVUSRQEIYQVFI-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.24
Rot. Bonds2

About 4-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one

4-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one (PubChem CID 103241488) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one
PubChem CID103241488
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one
SMILESCN1CCC(Oc2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C10H15N3O2/c1-13-4-2-8(3-5-13)15-9-6-10(14)12-11-7-9/h6-8H,2-5H2,1H3,(H,12,14)
InChIKeyBYVUSRQEIYQVFI-UHFFFAOYSA-N
XLogP0.24
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one?
The IUPAC name of 4-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one (CID 103241488) is 4-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one is CN1CCC(Oc2cn[nH]c(=O)c2)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one?
The InChIKey is BYVUSRQEIYQVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-4-2-8(3-5-13)15-9-6-10(14)12-11-7-9/h6-8H,2-5H2,1H3,(H,12,14).
What are the key properties of 4-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one?
4-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one has a molecular weight of 209.25 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 4-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one is sourced from PubChem (CID 103241488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).