6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one

C11H17N3O2 — CID 69229247

IUPAC6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one
SMILESCn1nc(N2CCC(CO)CC2)ccc1=O
InChIInChI=1S/C11H17N3O2/c1-13-11(16)3-2-10(12-13)14-6-4-9(8-15)5-7-14/h2-3,9,15H,4-8H2,1H3
InChIKeyQNRWILRSLHRVFF-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.01
Rot. Bonds2

About 6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one

6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one (PubChem CID 69229247) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one
PubChem CID69229247
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one
SMILESCn1nc(N2CCC(CO)CC2)ccc1=O
InChIInChI=1S/C11H17N3O2/c1-13-11(16)3-2-10(12-13)14-6-4-9(8-15)5-7-14/h2-3,9,15H,4-8H2,1H3
InChIKeyQNRWILRSLHRVFF-UHFFFAOYSA-N
XLogP-0.01
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one (CID 69229247) is 6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one is Cn1nc(N2CCC(CO)CC2)ccc1=O.
What is the InChIKey of 6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is QNRWILRSLHRVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13-11(16)3-2-10(12-13)14-6-4-9(8-15)5-7-14/h2-3,9,15H,4-8H2,1H3.
What are the key properties of 6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one?
6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 223.28 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 69229247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).