3-[3-(1,3-dioxolan-2-yl)phenyl]-5-(1-methylazetidin-3-yl)oxypyridazine

C17H19N3O3 — CID 121284169

IUPAC3-[3-(1,3-dioxolan-2-yl)phenyl]-5-(1-methylazetidin-3-yl)oxypyridazine
SMILESCN1CC(Oc2cnnc(-c3cccc(C4OCCO4)c3)c2)C1
InChIInChI=1S/C17H19N3O3/c1-20-10-15(11-20)23-14-8-16(19-18-9-14)12-3-2-4-13(7-12)17-21-5-6-22-17/h2-4,7-9,15,17H,5-6,10-11H2,1H3
InChIKeyUZXWEEKXYCPYHP-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.88
Rot. Bonds4

About 3-[3-(1,3-dioxolan-2-yl)phenyl]-5-(1-methylazetidin-3-yl)oxypyridazine

3-[3-(1,3-dioxolan-2-yl)phenyl]-5-(1-methylazetidin-3-yl)oxypyridazine (PubChem CID 121284169) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[3-(1,3-dioxolan-2-yl)phenyl]-5-(1-methylazetidin-3-yl)oxypyridazine.

Molecular Properties

Compound Name3-[3-(1,3-dioxolan-2-yl)phenyl]-5-(1-methylazetidin-3-yl)oxypyridazine
PubChem CID121284169
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-[3-(1,3-dioxolan-2-yl)phenyl]-5-(1-methylazetidin-3-yl)oxypyridazine
SMILESCN1CC(Oc2cnnc(-c3cccc(C4OCCO4)c3)c2)C1
InChIInChI=1S/C17H19N3O3/c1-20-10-15(11-20)23-14-8-16(19-18-9-14)12-3-2-4-13(7-12)17-21-5-6-22-17/h2-4,7-9,15,17H,5-6,10-11H2,1H3
InChIKeyUZXWEEKXYCPYHP-UHFFFAOYSA-N
XLogP1.88
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,3-dioxolan-2-yl)phenyl]-5-(1-methylazetidin-3-yl)oxypyridazine?
The IUPAC name of 3-[3-(1,3-dioxolan-2-yl)phenyl]-5-(1-methylazetidin-3-yl)oxypyridazine (CID 121284169) is 3-[3-(1,3-dioxolan-2-yl)phenyl]-5-(1-methylazetidin-3-yl)oxypyridazine.
What is the SMILES notation for 3-[3-(1,3-dioxolan-2-yl)phenyl]-5-(1-methylazetidin-3-yl)oxypyridazine?
The canonical SMILES for 3-[3-(1,3-dioxolan-2-yl)phenyl]-5-(1-methylazetidin-3-yl)oxypyridazine is CN1CC(Oc2cnnc(-c3cccc(C4OCCO4)c3)c2)C1.
What is the InChIKey of 3-[3-(1,3-dioxolan-2-yl)phenyl]-5-(1-methylazetidin-3-yl)oxypyridazine?
The InChIKey is UZXWEEKXYCPYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-20-10-15(11-20)23-14-8-16(19-18-9-14)12-3-2-4-13(7-12)17-21-5-6-22-17/h2-4,7-9,15,17H,5-6,10-11H2,1H3.
What are the key properties of 3-[3-(1,3-dioxolan-2-yl)phenyl]-5-(1-methylazetidin-3-yl)oxypyridazine?
3-[3-(1,3-dioxolan-2-yl)phenyl]-5-(1-methylazetidin-3-yl)oxypyridazine has a molecular weight of 313.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,3-dioxolan-2-yl)phenyl]-5-(1-methylazetidin-3-yl)oxypyridazine is sourced from PubChem (CID 121284169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).