2-[2-(2-methylphenoxy)ethyl]-6-piperazin-1-ylpyridazin-3-one

C17H22N4O2 — CID 45485770

IUPAC2-[2-(2-methylphenoxy)ethyl]-6-piperazin-1-ylpyridazin-3-one
SMILESCc1ccccc1OCCn1nc(N2CCNCC2)ccc1=O
InChIInChI=1S/C17H22N4O2/c1-14-4-2-3-5-15(14)23-13-12-21-17(22)7-6-16(19-21)20-10-8-18-9-11-20/h2-7,18H,8-13H2,1H3
InChIKeyXNGPDFMYCMLXRF-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.04
Rot. Bonds5

About 2-[2-(2-methylphenoxy)ethyl]-6-piperazin-1-ylpyridazin-3-one

2-[2-(2-methylphenoxy)ethyl]-6-piperazin-1-ylpyridazin-3-one (PubChem CID 45485770) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[2-(2-methylphenoxy)ethyl]-6-piperazin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-methylphenoxy)ethyl]-6-piperazin-1-ylpyridazin-3-one
PubChem CID45485770
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[2-(2-methylphenoxy)ethyl]-6-piperazin-1-ylpyridazin-3-one
SMILESCc1ccccc1OCCn1nc(N2CCNCC2)ccc1=O
InChIInChI=1S/C17H22N4O2/c1-14-4-2-3-5-15(14)23-13-12-21-17(22)7-6-16(19-21)20-10-8-18-9-11-20/h2-7,18H,8-13H2,1H3
InChIKeyXNGPDFMYCMLXRF-UHFFFAOYSA-N
XLogP1.04
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenoxy)ethyl]-6-piperazin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-(2-methylphenoxy)ethyl]-6-piperazin-1-ylpyridazin-3-one (CID 45485770) is 2-[2-(2-methylphenoxy)ethyl]-6-piperazin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(2-methylphenoxy)ethyl]-6-piperazin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(2-methylphenoxy)ethyl]-6-piperazin-1-ylpyridazin-3-one is Cc1ccccc1OCCn1nc(N2CCNCC2)ccc1=O.
What is the InChIKey of 2-[2-(2-methylphenoxy)ethyl]-6-piperazin-1-ylpyridazin-3-one?
The InChIKey is XNGPDFMYCMLXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-14-4-2-3-5-15(14)23-13-12-21-17(22)7-6-16(19-21)20-10-8-18-9-11-20/h2-7,18H,8-13H2,1H3.
What are the key properties of 2-[2-(2-methylphenoxy)ethyl]-6-piperazin-1-ylpyridazin-3-one?
2-[2-(2-methylphenoxy)ethyl]-6-piperazin-1-ylpyridazin-3-one has a molecular weight of 314.39 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenoxy)ethyl]-6-piperazin-1-ylpyridazin-3-one is sourced from PubChem (CID 45485770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).