3-phenyl-6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyridazine

C20H25N3O — CID 56746971

IUPAC3-phenyl-6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyridazine
SMILESC=CCCC(CN1CCCC1)Oc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C20H25N3O/c1-2-3-11-18(16-23-14-7-8-15-23)24-20-13-12-19(21-22-20)17-9-5-4-6-10-17/h2,4-6,9-10,12-13,18H,1,3,7-8,11,14-16H2
InChIKeyXYYFYJJGFPRXFD-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.95
Rot. Bonds8

About 3-phenyl-6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyridazine

3-phenyl-6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyridazine (PubChem CID 56746971) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-phenyl-6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyridazine.

Molecular Properties

Compound Name3-phenyl-6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyridazine
PubChem CID56746971
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name3-phenyl-6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyridazine
SMILESC=CCCC(CN1CCCC1)Oc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C20H25N3O/c1-2-3-11-18(16-23-14-7-8-15-23)24-20-13-12-19(21-22-20)17-9-5-4-6-10-17/h2,4-6,9-10,12-13,18H,1,3,7-8,11,14-16H2
InChIKeyXYYFYJJGFPRXFD-UHFFFAOYSA-N
XLogP3.95
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-phenyl-6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyridazine?
The IUPAC name of 3-phenyl-6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyridazine (CID 56746971) is 3-phenyl-6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyridazine.
What is the SMILES notation for 3-phenyl-6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyridazine?
The canonical SMILES for 3-phenyl-6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyridazine is C=CCCC(CN1CCCC1)Oc1ccc(-c2ccccc2)nn1.
What is the InChIKey of 3-phenyl-6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyridazine?
The InChIKey is XYYFYJJGFPRXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-3-11-18(16-23-14-7-8-15-23)24-20-13-12-19(21-22-20)17-9-5-4-6-10-17/h2,4-6,9-10,12-13,18H,1,3,7-8,11,14-16H2.
What are the key properties of 3-phenyl-6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyridazine?
3-phenyl-6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyridazine has a molecular weight of 323.44 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyridazine is sourced from PubChem (CID 56746971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).