6-(3,4-difluorophenyl)-4-[(2-hydroxyethylamino)methyl]-2-(2-methylpropyl)pyridazin-3-one

C17H21F2N3O2 — CID 141064912

IUPAC6-(3,4-difluorophenyl)-4-[(2-hydroxyethylamino)methyl]-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1nc(-c2ccc(F)c(F)c2)cc(CNCCO)c1=O
InChIInChI=1S/C17H21F2N3O2/c1-11(2)10-22-17(24)13(9-20-5-6-23)8-16(21-22)12-3-4-14(18)15(19)7-12/h3-4,7-8,11,20,23H,5-6,9-10H2,1-2H3
InChIKeyUKKBIRFBDABKJV-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.93
Rot. Bonds7

About 6-(3,4-difluorophenyl)-4-[(2-hydroxyethylamino)methyl]-2-(2-methylpropyl)pyridazin-3-one

6-(3,4-difluorophenyl)-4-[(2-hydroxyethylamino)methyl]-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 141064912) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-4-[(2-hydroxyethylamino)methyl]-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-4-[(2-hydroxyethylamino)methyl]-2-(2-methylpropyl)pyridazin-3-one
PubChem CID141064912
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name6-(3,4-difluorophenyl)-4-[(2-hydroxyethylamino)methyl]-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1nc(-c2ccc(F)c(F)c2)cc(CNCCO)c1=O
InChIInChI=1S/C17H21F2N3O2/c1-11(2)10-22-17(24)13(9-20-5-6-23)8-16(21-22)12-3-4-14(18)15(19)7-12/h3-4,7-8,11,20,23H,5-6,9-10H2,1-2H3
InChIKeyUKKBIRFBDABKJV-UHFFFAOYSA-N
XLogP1.93
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[bis(2-hydroxyethyl)amino]methyl]-6-(3,4-difluorophenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 10177855
6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447368
6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one
CID 82442863
4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one
CID 78881007
6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82444050
6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447358
N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide
CID 46950501
N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(1H-indol-3-yl)acetamide
CID 16671446
6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82443653
4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one
CID 82446587
N-[(2S)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]cyclohexanecarboxamide
CID 46959330
[4-[5-[(dimethylamino)methyl]-1-(2-methylpropyl)-6-oxopyridazin-3-yl]phenyl]methanesulfinate
CID 174449639

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-4-[(2-hydroxyethylamino)methyl]-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 6-(3,4-difluorophenyl)-4-[(2-hydroxyethylamino)methyl]-2-(2-methylpropyl)pyridazin-3-one (CID 141064912) is 6-(3,4-difluorophenyl)-4-[(2-hydroxyethylamino)methyl]-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-(3,4-difluorophenyl)-4-[(2-hydroxyethylamino)methyl]-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 6-(3,4-difluorophenyl)-4-[(2-hydroxyethylamino)methyl]-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1nc(-c2ccc(F)c(F)c2)cc(CNCCO)c1=O.
What is the InChIKey of 6-(3,4-difluorophenyl)-4-[(2-hydroxyethylamino)methyl]-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is UKKBIRFBDABKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-11(2)10-22-17(24)13(9-20-5-6-23)8-16(21-22)12-3-4-14(18)15(19)7-12/h3-4,7-8,11,20,23H,5-6,9-10H2,1-2H3.
What are the key properties of 6-(3,4-difluorophenyl)-4-[(2-hydroxyethylamino)methyl]-2-(2-methylpropyl)pyridazin-3-one?
6-(3,4-difluorophenyl)-4-[(2-hydroxyethylamino)methyl]-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 337.37 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-4-[(2-hydroxyethylamino)methyl]-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 141064912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).