3-methyl-5-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one

C11H17N3O — CID 90144627

IUPAC3-methyl-5-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one
SMILESCc1cc(C2CCN(C)CC2)c(=O)[nH]n1
InChIInChI=1S/C11H17N3O/c1-8-7-10(11(15)13-12-8)9-3-5-14(2)6-4-9/h7,9H,3-6H2,1-2H3,(H,13,15)
InChIKeyZQFHTVDPTSVVJO-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.89
Rot. Bonds1

About 3-methyl-5-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one

3-methyl-5-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one (PubChem CID 90144627) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-methyl-5-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-methyl-5-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one
PubChem CID90144627
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-methyl-5-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one
SMILESCc1cc(C2CCN(C)CC2)c(=O)[nH]n1
InChIInChI=1S/C11H17N3O/c1-8-7-10(11(15)13-12-8)9-3-5-14(2)6-4-9/h7,9H,3-6H2,1-2H3,(H,13,15)
InChIKeyZQFHTVDPTSVVJO-UHFFFAOYSA-N
XLogP0.89
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-methyl-5-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one (CID 90144627) is 3-methyl-5-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-methyl-5-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-methyl-5-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one is Cc1cc(C2CCN(C)CC2)c(=O)[nH]n1.
What is the InChIKey of 3-methyl-5-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one?
The InChIKey is ZQFHTVDPTSVVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-7-10(11(15)13-12-8)9-3-5-14(2)6-4-9/h7,9H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 3-methyl-5-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one?
3-methyl-5-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one has a molecular weight of 207.28 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 90144627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).