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

C17H22N4O2 — CID 29105749

IUPAC5-(4-methylpiperazin-1-yl)-2-(2-phenoxyethyl)pyridazin-3-one
SMILESCN1CCN(c2cnn(CCOc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C17H22N4O2/c1-19-7-9-20(10-8-19)15-13-17(22)21(18-14-15)11-12-23-16-5-3-2-4-6-16/h2-6,13-14H,7-12H2,1H3
InChIKeyKAPGTTOHECXABB-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.07
Rot. Bonds5

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

5-(4-methylpiperazin-1-yl)-2-(2-phenoxyethyl)pyridazin-3-one (PubChem CID 29105749) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-2-(2-phenoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-2-(2-phenoxyethyl)pyridazin-3-one
PubChem CID29105749
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name5-(4-methylpiperazin-1-yl)-2-(2-phenoxyethyl)pyridazin-3-one
SMILESCN1CCN(c2cnn(CCOc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C17H22N4O2/c1-19-7-9-20(10-8-19)15-13-17(22)21(18-14-15)11-12-23-16-5-3-2-4-6-16/h2-6,13-14H,7-12H2,1H3
InChIKeyKAPGTTOHECXABB-UHFFFAOYSA-N
XLogP1.07
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-2-(2-phenoxyethyl)pyridazin-3-one?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-2-(2-phenoxyethyl)pyridazin-3-one (CID 29105749) is 5-(4-methylpiperazin-1-yl)-2-(2-phenoxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-2-(2-phenoxyethyl)pyridazin-3-one?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-2-(2-phenoxyethyl)pyridazin-3-one is CN1CCN(c2cnn(CCOc3ccccc3)c(=O)c2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-2-(2-phenoxyethyl)pyridazin-3-one?
The InChIKey is KAPGTTOHECXABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-19-7-9-20(10-8-19)15-13-17(22)21(18-14-15)11-12-23-16-5-3-2-4-6-16/h2-6,13-14H,7-12H2,1H3.
What are the key properties of 5-(4-methylpiperazin-1-yl)-2-(2-phenoxyethyl)pyridazin-3-one?
5-(4-methylpiperazin-1-yl)-2-(2-phenoxyethyl)pyridazin-3-one has a molecular weight of 314.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-2-(2-phenoxyethyl)pyridazin-3-one is sourced from PubChem (CID 29105749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).