5-[(4-fluorophenyl)methoxy]-2-(oxan-2-yl)pyridazin-3-one

C16H17FN2O3 — CID 67007419

IUPAC5-[(4-fluorophenyl)methoxy]-2-(oxan-2-yl)pyridazin-3-one
SMILESO=c1cc(OCc2ccc(F)cc2)cnn1C1CCCCO1
InChIInChI=1S/C16H17FN2O3/c17-13-6-4-12(5-7-13)11-22-14-9-15(20)19(18-10-14)16-3-1-2-8-21-16/h4-7,9-10,16H,1-3,8,11H2
InChIKeyDTXGIYYFFOOVHW-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.66
Rot. Bonds4

About 5-[(4-fluorophenyl)methoxy]-2-(oxan-2-yl)pyridazin-3-one

5-[(4-fluorophenyl)methoxy]-2-(oxan-2-yl)pyridazin-3-one (PubChem CID 67007419) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-(oxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-(oxan-2-yl)pyridazin-3-one
PubChem CID67007419
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-(oxan-2-yl)pyridazin-3-one
SMILESO=c1cc(OCc2ccc(F)cc2)cnn1C1CCCCO1
InChIInChI=1S/C16H17FN2O3/c17-13-6-4-12(5-7-13)11-22-14-9-15(20)19(18-10-14)16-3-1-2-8-21-16/h4-7,9-10,16H,1-3,8,11H2
InChIKeyDTXGIYYFFOOVHW-UHFFFAOYSA-N
XLogP2.66
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-(oxan-2-yl)pyridazin-3-one?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-(oxan-2-yl)pyridazin-3-one (CID 67007419) is 5-[(4-fluorophenyl)methoxy]-2-(oxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-(oxan-2-yl)pyridazin-3-one?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-(oxan-2-yl)pyridazin-3-one is O=c1cc(OCc2ccc(F)cc2)cnn1C1CCCCO1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-(oxan-2-yl)pyridazin-3-one?
The InChIKey is DTXGIYYFFOOVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c17-13-6-4-12(5-7-13)11-22-14-9-15(20)19(18-10-14)16-3-1-2-8-21-16/h4-7,9-10,16H,1-3,8,11H2.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-(oxan-2-yl)pyridazin-3-one?
5-[(4-fluorophenyl)methoxy]-2-(oxan-2-yl)pyridazin-3-one has a molecular weight of 304.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-(oxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 67007419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).