2-[4-[6-(hydroxymethyl)pyridazin-3-yl]piperazin-1-yl]ethanol

C11H18N4O2 — CID 61252981

IUPAC2-[4-[6-(hydroxymethyl)pyridazin-3-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccc(CO)nn2)CC1
InChIInChI=1S/C11H18N4O2/c16-8-7-14-3-5-15(6-4-14)11-2-1-10(9-17)12-13-11/h1-2,16-17H,3-9H2
InChIKeyZJFLBMROBHRZJK-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.92
Rot. Bonds4

About 2-[4-[6-(hydroxymethyl)pyridazin-3-yl]piperazin-1-yl]ethanol

2-[4-[6-(hydroxymethyl)pyridazin-3-yl]piperazin-1-yl]ethanol (PubChem CID 61252981) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[4-[6-(hydroxymethyl)pyridazin-3-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-(hydroxymethyl)pyridazin-3-yl]piperazin-1-yl]ethanol
PubChem CID61252981
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[4-[6-(hydroxymethyl)pyridazin-3-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccc(CO)nn2)CC1
InChIInChI=1S/C11H18N4O2/c16-8-7-14-3-5-15(6-4-14)11-2-1-10(9-17)12-13-11/h1-2,16-17H,3-9H2
InChIKeyZJFLBMROBHRZJK-UHFFFAOYSA-N
XLogP-0.92
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(hydroxymethyl)pyridazin-3-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-(hydroxymethyl)pyridazin-3-yl]piperazin-1-yl]ethanol (CID 61252981) is 2-[4-[6-(hydroxymethyl)pyridazin-3-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-(hydroxymethyl)pyridazin-3-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-(hydroxymethyl)pyridazin-3-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2ccc(CO)nn2)CC1.
What is the InChIKey of 2-[4-[6-(hydroxymethyl)pyridazin-3-yl]piperazin-1-yl]ethanol?
The InChIKey is ZJFLBMROBHRZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c16-8-7-14-3-5-15(6-4-14)11-2-1-10(9-17)12-13-11/h1-2,16-17H,3-9H2.
What are the key properties of 2-[4-[6-(hydroxymethyl)pyridazin-3-yl]piperazin-1-yl]ethanol?
2-[4-[6-(hydroxymethyl)pyridazin-3-yl]piperazin-1-yl]ethanol has a molecular weight of 238.29 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(hydroxymethyl)pyridazin-3-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 61252981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).