3-octoxy-6-piperazin-1-ylpyridazine

C16H28N4O — CID 90177644

IUPAC3-octoxy-6-piperazin-1-ylpyridazine
SMILESCCCCCCCCOc1ccc(N2CCNCC2)nn1
InChIInChI=1S/C16H28N4O/c1-2-3-4-5-6-7-14-21-16-9-8-15(18-19-16)20-12-10-17-11-13-20/h8-9,17H,2-7,10-14H2,1H3
InChIKeyURHOTQUDENGKMQ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.63
Rot. Bonds9

About 3-octoxy-6-piperazin-1-ylpyridazine

3-octoxy-6-piperazin-1-ylpyridazine (PubChem CID 90177644) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-octoxy-6-piperazin-1-ylpyridazine.

Molecular Properties

Compound Name3-octoxy-6-piperazin-1-ylpyridazine
PubChem CID90177644
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-octoxy-6-piperazin-1-ylpyridazine
SMILESCCCCCCCCOc1ccc(N2CCNCC2)nn1
InChIInChI=1S/C16H28N4O/c1-2-3-4-5-6-7-14-21-16-9-8-15(18-19-16)20-12-10-17-11-13-20/h8-9,17H,2-7,10-14H2,1H3
InChIKeyURHOTQUDENGKMQ-UHFFFAOYSA-N
XLogP2.63
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-octoxy-6-piperazin-1-ylpyridazine?
The IUPAC name of 3-octoxy-6-piperazin-1-ylpyridazine (CID 90177644) is 3-octoxy-6-piperazin-1-ylpyridazine.
What is the SMILES notation for 3-octoxy-6-piperazin-1-ylpyridazine?
The canonical SMILES for 3-octoxy-6-piperazin-1-ylpyridazine is CCCCCCCCOc1ccc(N2CCNCC2)nn1.
What is the InChIKey of 3-octoxy-6-piperazin-1-ylpyridazine?
The InChIKey is URHOTQUDENGKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-2-3-4-5-6-7-14-21-16-9-8-15(18-19-16)20-12-10-17-11-13-20/h8-9,17H,2-7,10-14H2,1H3.
What are the key properties of 3-octoxy-6-piperazin-1-ylpyridazine?
3-octoxy-6-piperazin-1-ylpyridazine has a molecular weight of 292.43 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octoxy-6-piperazin-1-ylpyridazine is sourced from PubChem (CID 90177644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).