6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

C12H19N3O3 — CID 43421650

IUPAC6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCCCC2CO)CCC1=O
InChIInChI=1S/C12H19N3O3/c1-14-11(17)6-5-10(13-14)12(18)15-7-3-2-4-9(15)8-16/h9,16H,2-8H2,1H3
InChIKeyLUOZOAVXHQCDGA-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.03
Rot. Bonds2

About 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (PubChem CID 43421650) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
PubChem CID43421650
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCCCC2CO)CCC1=O
InChIInChI=1S/C12H19N3O3/c1-14-11(17)6-5-10(13-14)12(18)15-7-3-2-4-9(15)8-16/h9,16H,2-8H2,1H3
InChIKeyLUOZOAVXHQCDGA-UHFFFAOYSA-N
XLogP-0.03
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (CID 43421650) is 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is CN1N=C(C(=O)N2CCCCC2CO)CCC1=O.
What is the InChIKey of 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The InChIKey is LUOZOAVXHQCDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-14-11(17)6-5-10(13-14)12(18)15-7-3-2-4-9(15)8-16/h9,16H,2-8H2,1H3.
What are the key properties of 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one has a molecular weight of 253.30 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 43421650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).