3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one

C10H15N3O — CID 117105176

IUPAC3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one
SMILESCN1CCC(c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C10H15N3O/c1-13-6-4-8(5-7-13)9-2-3-10(14)12-11-9/h2-3,8H,4-7H2,1H3,(H,12,14)
InChIKeyCDWVQNBMBZCZAF-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.58
Rot. Bonds1

About 3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one

3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one (PubChem CID 117105176) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one
PubChem CID117105176
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one
SMILESCN1CCC(c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C10H15N3O/c1-13-6-4-8(5-7-13)9-2-3-10(14)12-11-9/h2-3,8H,4-7H2,1H3,(H,12,14)
InChIKeyCDWVQNBMBZCZAF-UHFFFAOYSA-N
XLogP0.58
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one (CID 117105176) is 3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one is CN1CCC(c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one?
The InChIKey is CDWVQNBMBZCZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13-6-4-8(5-7-13)9-2-3-10(14)12-11-9/h2-3,8H,4-7H2,1H3,(H,12,14).
What are the key properties of 3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one?
3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one has a molecular weight of 193.25 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 117105176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).