3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine

C12H20N4O2 — CID 59606522

IUPAC3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine
SMILESCCOCCOc1ccc(N2CCNCC2)nn1
InChIInChI=1S/C12H20N4O2/c1-2-17-9-10-18-12-4-3-11(14-15-12)16-7-5-13-6-8-16/h3-4,13H,2,5-10H2,1H3
InChIKeyDCMTWNYALASIEY-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.30
Rot. Bonds6

About 3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine

3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine (PubChem CID 59606522) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine
PubChem CID59606522
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine
SMILESCCOCCOc1ccc(N2CCNCC2)nn1
InChIInChI=1S/C12H20N4O2/c1-2-17-9-10-18-12-4-3-11(14-15-12)16-7-5-13-6-8-16/h3-4,13H,2,5-10H2,1H3
InChIKeyDCMTWNYALASIEY-UHFFFAOYSA-N
XLogP0.30
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine?
The IUPAC name of 3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine (CID 59606522) is 3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine.
What is the SMILES notation for 3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine?
The canonical SMILES for 3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine is CCOCCOc1ccc(N2CCNCC2)nn1.
What is the InChIKey of 3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine?
The InChIKey is DCMTWNYALASIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-17-9-10-18-12-4-3-11(14-15-12)16-7-5-13-6-8-16/h3-4,13H,2,5-10H2,1H3.
What are the key properties of 3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine?
3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine has a molecular weight of 252.32 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine is sourced from PubChem (CID 59606522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).