1-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]propan-2-one

C13H11F2N3O — CID 116972104

IUPAC1-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]propan-2-one
SMILESCC(=O)CNc1ccc(-c2cc(F)ccc2F)nn1
InChIInChI=1S/C13H11F2N3O/c1-8(19)7-16-13-5-4-12(17-18-13)10-6-9(14)2-3-11(10)15/h2-6H,7H2,1H3,(H,16,18)
InChIKeyLZWHRZBISJAYOQ-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.42
Rot. Bonds4

About 1-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]propan-2-one

1-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]propan-2-one (PubChem CID 116972104) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 1-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]propan-2-one.

Molecular Properties

Compound Name1-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]propan-2-one
PubChem CID116972104
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name1-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]propan-2-one
SMILESCC(=O)CNc1ccc(-c2cc(F)ccc2F)nn1
InChIInChI=1S/C13H11F2N3O/c1-8(19)7-16-13-5-4-12(17-18-13)10-6-9(14)2-3-11(10)15/h2-6H,7H2,1H3,(H,16,18)
InChIKeyLZWHRZBISJAYOQ-UHFFFAOYSA-N
XLogP2.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]propan-2-one?
The IUPAC name of 1-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]propan-2-one (CID 116972104) is 1-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]propan-2-one.
What is the SMILES notation for 1-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]propan-2-one?
The canonical SMILES for 1-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]propan-2-one is CC(=O)CNc1ccc(-c2cc(F)ccc2F)nn1.
What is the InChIKey of 1-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]propan-2-one?
The InChIKey is LZWHRZBISJAYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c1-8(19)7-16-13-5-4-12(17-18-13)10-6-9(14)2-3-11(10)15/h2-6H,7H2,1H3,(H,16,18).
What are the key properties of 1-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]propan-2-one?
1-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]propan-2-one has a molecular weight of 263.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]propan-2-one is sourced from PubChem (CID 116972104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).