5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one

C14H17FN4O — CID 114397466

IUPAC5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one
SMILESCN(C)c1cnn(CCNc2cccc(F)c2)c(=O)c1
InChIInChI=1S/C14H17FN4O/c1-18(2)13-9-14(20)19(17-10-13)7-6-16-12-5-3-4-11(15)8-12/h3-5,8-10,16H,6-7H2,1-2H3
InChIKeyUHWKYIQXHPJNQW-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.56
Rot. Bonds5

About 5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one

5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one (PubChem CID 114397466) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one
PubChem CID114397466
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one
SMILESCN(C)c1cnn(CCNc2cccc(F)c2)c(=O)c1
InChIInChI=1S/C14H17FN4O/c1-18(2)13-9-14(20)19(17-10-13)7-6-16-12-5-3-4-11(15)8-12/h3-5,8-10,16H,6-7H2,1-2H3
InChIKeyUHWKYIQXHPJNQW-UHFFFAOYSA-N
XLogP1.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 114394588
5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
CID 114397462
5-(dimethylamino)-2-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyridazin-3-one
CID 114397467
2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one
CID 114393687
2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394839
5-(dimethylamino)-2-[2-[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 97277231
1-[2-[3-(dimethylamino)anilino]ethyl]pyridin-2-one
CID 82897872
3-fluoro-N-[2-(1-methylpyrazol-4-yl)sulfanylethyl]aniline
CID 62580140
3-[2-(3-fluoroanilino)ethyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79374119
3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
CID 62564168
potassium 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106746469
2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one
CID 114393508

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one (CID 114397466) is 5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one is CN(C)c1cnn(CCNc2cccc(F)c2)c(=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one?
The InChIKey is UHWKYIQXHPJNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-18(2)13-9-14(20)19(17-10-13)7-6-16-12-5-3-4-11(15)8-12/h3-5,8-10,16H,6-7H2,1-2H3.
What are the key properties of 5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one?
5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one has a molecular weight of 276.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one is sourced from PubChem (CID 114397466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).