2-(6-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one

C16H27N3O2 — CID 107705283

IUPAC2-(6-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
SMILESCC1CCN(c2cnn(CCCCCCO)c(=O)c2)CC1
InChIInChI=1S/C16H27N3O2/c1-14-6-9-18(10-7-14)15-12-16(21)19(17-13-15)8-4-2-3-5-11-20/h12-14,20H,2-11H2,1H3
InChIKeyVUVCZCKDCZKODJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.03
Rot. Bonds7

About 2-(6-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one

2-(6-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one (PubChem CID 107705283) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(6-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(6-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
PubChem CID107705283
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-(6-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
SMILESCC1CCN(c2cnn(CCCCCCO)c(=O)c2)CC1
InChIInChI=1S/C16H27N3O2/c1-14-6-9-18(10-7-14)15-12-16(21)19(17-13-15)8-4-2-3-5-11-20/h12-14,20H,2-11H2,1H3
InChIKeyVUVCZCKDCZKODJ-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-(6-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one (CID 107705283) is 2-(6-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-(6-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-(6-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one is CC1CCN(c2cnn(CCCCCCO)c(=O)c2)CC1.
What is the InChIKey of 2-(6-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The InChIKey is VUVCZCKDCZKODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-14-6-9-18(10-7-14)15-12-16(21)19(17-13-15)8-4-2-3-5-11-20/h12-14,20H,2-11H2,1H3.
What are the key properties of 2-(6-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
2-(6-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one has a molecular weight of 293.41 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 107705283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).