3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one

C14H16FN3O2 — CID 82445686

IUPAC3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one
SMILESCOCCNCc1cc(-c2ccc(F)cc2)n[nH]c1=O
InChIInChI=1S/C14H16FN3O2/c1-20-7-6-16-9-11-8-13(17-18-14(11)19)10-2-4-12(15)5-3-10/h2-5,8,16H,6-7,9H2,1H3,(H,18,19)
InChIKeyJWTNCNNENYDWDM-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.31
Rot. Bonds6

About 3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one

3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one (PubChem CID 82445686) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one
PubChem CID82445686
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one
SMILESCOCCNCc1cc(-c2ccc(F)cc2)n[nH]c1=O
InChIInChI=1S/C14H16FN3O2/c1-20-7-6-16-9-11-8-13(17-18-14(11)19)10-2-4-12(15)5-3-10/h2-5,8,16H,6-7,9H2,1H3,(H,18,19)
InChIKeyJWTNCNNENYDWDM-UHFFFAOYSA-N
XLogP1.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one
CID 82445389
3-phenyl-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82445383
3-(4-ethylphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82445478
5-(butylaminomethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445436
3-(4-fluorophenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one
CID 82445694
3-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1H-pyridazin-6-one
CID 82446251
5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one
CID 82445513
3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one
CID 82520963
3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one
CID 82446062
3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82518152
6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one
CID 82520167
N-[[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79485108

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one?
The IUPAC name of 3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one (CID 82445686) is 3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one is COCCNCc1cc(-c2ccc(F)cc2)n[nH]c1=O.
What is the InChIKey of 3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one?
The InChIKey is JWTNCNNENYDWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-20-7-6-16-9-11-8-13(17-18-14(11)19)10-2-4-12(15)5-3-10/h2-5,8,16H,6-7,9H2,1H3,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one?
3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one has a molecular weight of 277.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 82445686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).