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

C16H32N4O2 — CID 143791673

IUPACethane;3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine
SMILESCC.CC.CCOCCOc1ccc(N2CCNCC2)nn1
InChIInChI=1S/C12H20N4O2.2C2H6/c1-2-17-9-10-18-12-4-3-11(14-15-12)16-7-5-13-6-8-16;2*1-2/h3-4,13H,2,5-10H2,1H3;2*1-2H3
InChIKeyDRYVTKOYDFXXGR-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.35
Rot. Bonds6

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

ethane;3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine (PubChem CID 143791673) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is ethane;3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine.

Molecular Properties

Compound Nameethane;3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine
PubChem CID143791673
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Nameethane;3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine
SMILESCC.CC.CCOCCOc1ccc(N2CCNCC2)nn1
InChIInChI=1S/C12H20N4O2.2C2H6/c1-2-17-9-10-18-12-4-3-11(14-15-12)16-7-5-13-6-8-16;2*1-2/h3-4,13H,2,5-10H2,1H3;2*1-2H3
InChIKeyDRYVTKOYDFXXGR-UHFFFAOYSA-N
XLogP2.35
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.35
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 ethane;3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine?
The IUPAC name of ethane;3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine (CID 143791673) is ethane;3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine.
What is the SMILES notation for ethane;3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine?
The canonical SMILES for ethane;3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine is CC.CC.CCOCCOc1ccc(N2CCNCC2)nn1.
What is the InChIKey of ethane;3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine?
The InChIKey is DRYVTKOYDFXXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2.2C2H6/c1-2-17-9-10-18-12-4-3-11(14-15-12)16-7-5-13-6-8-16;2*1-2/h3-4,13H,2,5-10H2,1H3;2*1-2H3.
What are the key properties of ethane;3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine?
ethane;3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine has a molecular weight of 312.46 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-ethoxyethoxy)-6-piperazin-1-ylpyridazine is sourced from PubChem (CID 143791673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).