2,5,6-trimethyl-4-(piperidine-1-carbonyl)pyridazin-3-one

C13H19N3O2 — CID 64590951

IUPAC2,5,6-trimethyl-4-(piperidine-1-carbonyl)pyridazin-3-one
SMILESCc1nn(C)c(=O)c(C(=O)N2CCCCC2)c1C
InChIInChI=1S/C13H19N3O2/c1-9-10(2)14-15(3)12(17)11(9)13(18)16-7-5-4-6-8-16/h4-8H2,1-3H3
InChIKeyIQYGBKWWYUOFFP-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.02
Rot. Bonds1

About 2,5,6-trimethyl-4-(piperidine-1-carbonyl)pyridazin-3-one

2,5,6-trimethyl-4-(piperidine-1-carbonyl)pyridazin-3-one (PubChem CID 64590951) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2,5,6-trimethyl-4-(piperidine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2,5,6-trimethyl-4-(piperidine-1-carbonyl)pyridazin-3-one
PubChem CID64590951
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2,5,6-trimethyl-4-(piperidine-1-carbonyl)pyridazin-3-one
SMILESCc1nn(C)c(=O)c(C(=O)N2CCCCC2)c1C
InChIInChI=1S/C13H19N3O2/c1-9-10(2)14-15(3)12(17)11(9)13(18)16-7-5-4-6-8-16/h4-8H2,1-3H3
InChIKeyIQYGBKWWYUOFFP-UHFFFAOYSA-N
XLogP1.02
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-4-(piperidine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2,5,6-trimethyl-4-(piperidine-1-carbonyl)pyridazin-3-one (CID 64590951) is 2,5,6-trimethyl-4-(piperidine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2,5,6-trimethyl-4-(piperidine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2,5,6-trimethyl-4-(piperidine-1-carbonyl)pyridazin-3-one is Cc1nn(C)c(=O)c(C(=O)N2CCCCC2)c1C.
What is the InChIKey of 2,5,6-trimethyl-4-(piperidine-1-carbonyl)pyridazin-3-one?
The InChIKey is IQYGBKWWYUOFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-10(2)14-15(3)12(17)11(9)13(18)16-7-5-4-6-8-16/h4-8H2,1-3H3.
What are the key properties of 2,5,6-trimethyl-4-(piperidine-1-carbonyl)pyridazin-3-one?
2,5,6-trimethyl-4-(piperidine-1-carbonyl)pyridazin-3-one has a molecular weight of 249.31 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-4-(piperidine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 64590951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).