2-methyl-5-(piperidine-1-carbonyl)pyridazin-3-one

C11H15N3O2 — CID 66575180

IUPAC2-methyl-5-(piperidine-1-carbonyl)pyridazin-3-one
SMILESCn1ncc(C(=O)N2CCCCC2)cc1=O
InChIInChI=1S/C11H15N3O2/c1-13-10(15)7-9(8-12-13)11(16)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3
InChIKeyZDXZKURZHYPBED-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.41
Rot. Bonds1

About 2-methyl-5-(piperidine-1-carbonyl)pyridazin-3-one

2-methyl-5-(piperidine-1-carbonyl)pyridazin-3-one (PubChem CID 66575180) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-methyl-5-(piperidine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-(piperidine-1-carbonyl)pyridazin-3-one
PubChem CID66575180
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-methyl-5-(piperidine-1-carbonyl)pyridazin-3-one
SMILESCn1ncc(C(=O)N2CCCCC2)cc1=O
InChIInChI=1S/C11H15N3O2/c1-13-10(15)7-9(8-12-13)11(16)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3
InChIKeyZDXZKURZHYPBED-UHFFFAOYSA-N
XLogP0.41
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperidine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-methyl-5-(piperidine-1-carbonyl)pyridazin-3-one (CID 66575180) is 2-methyl-5-(piperidine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-(piperidine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-5-(piperidine-1-carbonyl)pyridazin-3-one is Cn1ncc(C(=O)N2CCCCC2)cc1=O.
What is the InChIKey of 2-methyl-5-(piperidine-1-carbonyl)pyridazin-3-one?
The InChIKey is ZDXZKURZHYPBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-13-10(15)7-9(8-12-13)11(16)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3.
What are the key properties of 2-methyl-5-(piperidine-1-carbonyl)pyridazin-3-one?
2-methyl-5-(piperidine-1-carbonyl)pyridazin-3-one has a molecular weight of 221.26 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(piperidine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 66575180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).