2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one

C11H18N4O2 — CID 114396424

IUPAC2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCN1CCN(c2cnn(CCO)c(=O)c2)CC1
InChIInChI=1S/C11H18N4O2/c1-13-2-4-14(5-3-13)10-8-11(17)15(6-7-16)12-9-10/h8-9,16H,2-7H2,1H3
InChIKeyQQPXTKDDWUEKKB-UHFFFAOYSA-N
MW238.29 g/mol
LogP-1.01
Rot. Bonds3

About 2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one

2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one (PubChem CID 114396424) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
PubChem CID114396424
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCN1CCN(c2cnn(CCO)c(=O)c2)CC1
InChIInChI=1S/C11H18N4O2/c1-13-2-4-14(5-3-13)10-8-11(17)15(6-7-16)12-9-10/h8-9,16H,2-7H2,1H3
InChIKeyQQPXTKDDWUEKKB-UHFFFAOYSA-N
XLogP-1.01
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one (CID 114396424) is 2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one is CN1CCN(c2cnn(CCO)c(=O)c2)CC1.
What is the InChIKey of 2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is QQPXTKDDWUEKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-13-2-4-14(5-3-13)10-8-11(17)15(6-7-16)12-9-10/h8-9,16H,2-7H2,1H3.
What are the key properties of 2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 238.29 g/mol, XLogP of -1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 114396424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).