2-methyl-6-(3-methylpiperidine-1-carbonyl)pyridazin-3-one

C12H17N3O2 — CID 42910081

IUPAC2-methyl-6-(3-methylpiperidine-1-carbonyl)pyridazin-3-one
SMILESCC1CCCN(C(=O)c2ccc(=O)n(C)n2)C1
InChIInChI=1S/C12H17N3O2/c1-9-4-3-7-15(8-9)12(17)10-5-6-11(16)14(2)13-10/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyHKHHYDXDTZQVMM-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.65
Rot. Bonds1

About 2-methyl-6-(3-methylpiperidine-1-carbonyl)pyridazin-3-one

2-methyl-6-(3-methylpiperidine-1-carbonyl)pyridazin-3-one (PubChem CID 42910081) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methyl-6-(3-methylpiperidine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(3-methylpiperidine-1-carbonyl)pyridazin-3-one
PubChem CID42910081
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-methyl-6-(3-methylpiperidine-1-carbonyl)pyridazin-3-one
SMILESCC1CCCN(C(=O)c2ccc(=O)n(C)n2)C1
InChIInChI=1S/C12H17N3O2/c1-9-4-3-7-15(8-9)12(17)10-5-6-11(16)14(2)13-10/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyHKHHYDXDTZQVMM-UHFFFAOYSA-N
XLogP0.65
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylpiperidine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(3-methylpiperidine-1-carbonyl)pyridazin-3-one (CID 42910081) is 2-methyl-6-(3-methylpiperidine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(3-methylpiperidine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(3-methylpiperidine-1-carbonyl)pyridazin-3-one is CC1CCCN(C(=O)c2ccc(=O)n(C)n2)C1.
What is the InChIKey of 2-methyl-6-(3-methylpiperidine-1-carbonyl)pyridazin-3-one?
The InChIKey is HKHHYDXDTZQVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-4-3-7-15(8-9)12(17)10-5-6-11(16)14(2)13-10/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-methyl-6-(3-methylpiperidine-1-carbonyl)pyridazin-3-one?
2-methyl-6-(3-methylpiperidine-1-carbonyl)pyridazin-3-one has a molecular weight of 235.29 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylpiperidine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 42910081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).