6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one

C12H17N3O3 — CID 80707142

IUPAC6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCC(C)(O)CC2)ccc1=O
InChIInChI=1S/C12H17N3O3/c1-12(18)5-7-15(8-6-12)11(17)9-3-4-10(16)14(2)13-9/h3-4,18H,5-8H2,1-2H3
InChIKeyHLPAWOXXAOMAMW-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.23
Rot. Bonds1

About 6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one

6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one (PubChem CID 80707142) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
PubChem CID80707142
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCC(C)(O)CC2)ccc1=O
InChIInChI=1S/C12H17N3O3/c1-12(18)5-7-15(8-6-12)11(17)9-3-4-10(16)14(2)13-9/h3-4,18H,5-8H2,1-2H3
InChIKeyHLPAWOXXAOMAMW-UHFFFAOYSA-N
XLogP-0.23
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one (CID 80707142) is 6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CCC(C)(O)CC2)ccc1=O.
What is the InChIKey of 6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one?
The InChIKey is HLPAWOXXAOMAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(18)5-7-15(8-6-12)11(17)9-3-4-10(16)14(2)13-9/h3-4,18H,5-8H2,1-2H3.
What are the key properties of 6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one?
6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one has a molecular weight of 251.29 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 80707142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).