4-[6-(2-phenylmethoxyphenyl)pyridazin-3-yl]morpholine

C21H21N3O2 — CID 46226110

IUPAC4-[6-(2-phenylmethoxyphenyl)pyridazin-3-yl]morpholine
SMILESc1ccc(COc2ccccc2-c2ccc(N3CCOCC3)nn2)cc1
InChIInChI=1S/C21H21N3O2/c1-2-6-17(7-3-1)16-26-20-9-5-4-8-18(20)19-10-11-21(23-22-19)24-12-14-25-15-13-24/h1-11H,12-16H2
InChIKeyYULLQQIZDNODNZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.56
Rot. Bonds5

About 4-[6-(2-phenylmethoxyphenyl)pyridazin-3-yl]morpholine

4-[6-(2-phenylmethoxyphenyl)pyridazin-3-yl]morpholine (PubChem CID 46226110) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[6-(2-phenylmethoxyphenyl)pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-(2-phenylmethoxyphenyl)pyridazin-3-yl]morpholine
PubChem CID46226110
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-[6-(2-phenylmethoxyphenyl)pyridazin-3-yl]morpholine
SMILESc1ccc(COc2ccccc2-c2ccc(N3CCOCC3)nn2)cc1
InChIInChI=1S/C21H21N3O2/c1-2-6-17(7-3-1)16-26-20-9-5-4-8-18(20)19-10-11-21(23-22-19)24-12-14-25-15-13-24/h1-11H,12-16H2
InChIKeyYULLQQIZDNODNZ-UHFFFAOYSA-N
XLogP3.56
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-phenylmethoxyphenyl)pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-(2-phenylmethoxyphenyl)pyridazin-3-yl]morpholine (CID 46226110) is 4-[6-(2-phenylmethoxyphenyl)pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-(2-phenylmethoxyphenyl)pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-(2-phenylmethoxyphenyl)pyridazin-3-yl]morpholine is c1ccc(COc2ccccc2-c2ccc(N3CCOCC3)nn2)cc1.
What is the InChIKey of 4-[6-(2-phenylmethoxyphenyl)pyridazin-3-yl]morpholine?
The InChIKey is YULLQQIZDNODNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-2-6-17(7-3-1)16-26-20-9-5-4-8-18(20)19-10-11-21(23-22-19)24-12-14-25-15-13-24/h1-11H,12-16H2.
What are the key properties of 4-[6-(2-phenylmethoxyphenyl)pyridazin-3-yl]morpholine?
4-[6-(2-phenylmethoxyphenyl)pyridazin-3-yl]morpholine has a molecular weight of 347.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-phenylmethoxyphenyl)pyridazin-3-yl]morpholine is sourced from PubChem (CID 46226110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).