1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one

C14H15ClFN3O — CID 82420484

IUPAC1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
SMILESCCNCc1nn(-c2ccc(F)c(Cl)c2)c(C)cc1=O
InChIInChI=1S/C14H15ClFN3O/c1-3-17-8-13-14(20)6-9(2)19(18-13)10-4-5-12(16)11(15)7-10/h4-7,17H,3,8H2,1-2H3
InChIKeyPOFBMUGVXCAHAV-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.44
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one

1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one (PubChem CID 82420484) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
PubChem CID82420484
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
SMILESCCNCc1nn(-c2ccc(F)c(Cl)c2)c(C)cc1=O
InChIInChI=1S/C14H15ClFN3O/c1-3-17-8-13-14(20)6-9(2)19(18-13)10-4-5-12(16)11(15)7-10/h4-7,17H,3,8H2,1-2H3
InChIKeyPOFBMUGVXCAHAV-UHFFFAOYSA-N
XLogP2.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(chloromethyl)-6-methylpyridazin-4-one
CID 82420490
1-(4-chlorophenyl)-6-methyl-3-(propylaminomethyl)pyridazin-4-one
CID 82422160
1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420193
3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one
CID 82421029
1-(3,4-difluorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
CID 82420959
1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
CID 82422165
1-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one
CID 82419439
1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82419228
3-[(butan-2-ylamino)methyl]-1-(3-chlorophenyl)-6-methylpyridazin-4-one
CID 82419695
3-(butylaminomethyl)-1-(2,5-difluorophenyl)-6-methylpyridazin-4-one
CID 82421607
2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
CID 82419701
1-(3-chloro-4-fluorophenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one
CID 82420472

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one (CID 82420484) is 1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one is CCNCc1nn(-c2ccc(F)c(Cl)c2)c(C)cc1=O.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one?
The InChIKey is POFBMUGVXCAHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-3-17-8-13-14(20)6-9(2)19(18-13)10-4-5-12(16)11(15)7-10/h4-7,17H,3,8H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one?
1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one has a molecular weight of 295.75 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 82420484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).