4-[2-(6-phenylpyridazin-3-yl)oxyhex-5-enyl]morpholine

C20H25N3O2 — CID 56909570

IUPAC4-[2-(6-phenylpyridazin-3-yl)oxyhex-5-enyl]morpholine
SMILESC=CCCC(CN1CCOCC1)Oc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C20H25N3O2/c1-2-3-9-18(16-23-12-14-24-15-13-23)25-20-11-10-19(21-22-20)17-7-5-4-6-8-17/h2,4-8,10-11,18H,1,3,9,12-16H2
InChIKeyQJVSMKHUZSDLTE-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.19
Rot. Bonds8

About 4-[2-(6-phenylpyridazin-3-yl)oxyhex-5-enyl]morpholine

4-[2-(6-phenylpyridazin-3-yl)oxyhex-5-enyl]morpholine (PubChem CID 56909570) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[2-(6-phenylpyridazin-3-yl)oxyhex-5-enyl]morpholine.

Molecular Properties

Compound Name4-[2-(6-phenylpyridazin-3-yl)oxyhex-5-enyl]morpholine
PubChem CID56909570
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-[2-(6-phenylpyridazin-3-yl)oxyhex-5-enyl]morpholine
SMILESC=CCCC(CN1CCOCC1)Oc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C20H25N3O2/c1-2-3-9-18(16-23-12-14-24-15-13-23)25-20-11-10-19(21-22-20)17-7-5-4-6-8-17/h2,4-8,10-11,18H,1,3,9,12-16H2
InChIKeyQJVSMKHUZSDLTE-UHFFFAOYSA-N
XLogP3.19
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-phenylpyridazin-3-yl)oxyhex-5-enyl]morpholine?
The IUPAC name of 4-[2-(6-phenylpyridazin-3-yl)oxyhex-5-enyl]morpholine (CID 56909570) is 4-[2-(6-phenylpyridazin-3-yl)oxyhex-5-enyl]morpholine.
What is the SMILES notation for 4-[2-(6-phenylpyridazin-3-yl)oxyhex-5-enyl]morpholine?
The canonical SMILES for 4-[2-(6-phenylpyridazin-3-yl)oxyhex-5-enyl]morpholine is C=CCCC(CN1CCOCC1)Oc1ccc(-c2ccccc2)nn1.
What is the InChIKey of 4-[2-(6-phenylpyridazin-3-yl)oxyhex-5-enyl]morpholine?
The InChIKey is QJVSMKHUZSDLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-3-9-18(16-23-12-14-24-15-13-23)25-20-11-10-19(21-22-20)17-7-5-4-6-8-17/h2,4-8,10-11,18H,1,3,9,12-16H2.
What are the key properties of 4-[2-(6-phenylpyridazin-3-yl)oxyhex-5-enyl]morpholine?
4-[2-(6-phenylpyridazin-3-yl)oxyhex-5-enyl]morpholine has a molecular weight of 339.44 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-phenylpyridazin-3-yl)oxyhex-5-enyl]morpholine is sourced from PubChem (CID 56909570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).