1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one

C15H18ClN3O2 — CID 82422165

IUPAC1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
SMILESCOCCNCc1nn(-c2ccc(Cl)cc2)c(C)cc1=O
InChIInChI=1S/C15H18ClN3O2/c1-11-9-15(20)14(10-17-7-8-21-2)18-19(11)13-5-3-12(16)4-6-13/h3-6,9,17H,7-8,10H2,1-2H3
InChIKeyPBJSFVAMCJFRIR-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.93
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one

1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one (PubChem CID 82422165) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
PubChem CID82422165
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
SMILESCOCCNCc1nn(-c2ccc(Cl)cc2)c(C)cc1=O
InChIInChI=1S/C15H18ClN3O2/c1-11-9-15(20)14(10-17-7-8-21-2)18-19(11)13-5-3-12(16)4-6-13/h3-6,9,17H,7-8,10H2,1-2H3
InChIKeyPBJSFVAMCJFRIR-UHFFFAOYSA-N
XLogP1.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-difluorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
CID 82420959
1-(4-chlorophenyl)-6-methyl-3-(propylaminomethyl)pyridazin-4-one
CID 82422160
1-(2,6-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
CID 82420277
3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82419522
1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420484
3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one
CID 82421029
1-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one
CID 82419439
3-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)pyridazin-4-one
CID 82419138
1-(3-chloro-4-fluorophenyl)-3-(chloromethyl)-6-methylpyridazin-4-one
CID 82420490
3-(butylaminomethyl)-1-(2,5-difluorophenyl)-6-methylpyridazin-4-one
CID 82421607
1-(3-methoxyphenyl)-6-methyl-3-[(2-methylpropylamino)methyl]pyridazin-4-one
CID 82421034
1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide
CID 46515956

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one (CID 82422165) is 1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one is COCCNCc1nn(-c2ccc(Cl)cc2)c(C)cc1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one?
The InChIKey is PBJSFVAMCJFRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-11-9-15(20)14(10-17-7-8-21-2)18-19(11)13-5-3-12(16)4-6-13/h3-6,9,17H,7-8,10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one?
1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one has a molecular weight of 307.78 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one is sourced from PubChem (CID 82422165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).