1-(4-chlorophenyl)-6-methyl-3-(propylaminomethyl)pyridazin-4-one

C15H18ClN3O — CID 82422160

IUPAC1-(4-chlorophenyl)-6-methyl-3-(propylaminomethyl)pyridazin-4-one
SMILESCCCNCc1nn(-c2ccc(Cl)cc2)c(C)cc1=O
InChIInChI=1S/C15H18ClN3O/c1-3-8-17-10-14-15(20)9-11(2)19(18-14)13-6-4-12(16)5-7-13/h4-7,9,17H,3,8,10H2,1-2H3
InChIKeyUKIIVKDDIWQSCH-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.69
Rot. Bonds5

About 1-(4-chlorophenyl)-6-methyl-3-(propylaminomethyl)pyridazin-4-one

1-(4-chlorophenyl)-6-methyl-3-(propylaminomethyl)pyridazin-4-one (PubChem CID 82422160) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-methyl-3-(propylaminomethyl)pyridazin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-methyl-3-(propylaminomethyl)pyridazin-4-one
PubChem CID82422160
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name1-(4-chlorophenyl)-6-methyl-3-(propylaminomethyl)pyridazin-4-one
SMILESCCCNCc1nn(-c2ccc(Cl)cc2)c(C)cc1=O
InChIInChI=1S/C15H18ClN3O/c1-3-8-17-10-14-15(20)9-11(2)19(18-14)13-6-4-12(16)5-7-13/h4-7,9,17H,3,8,10H2,1-2H3
InChIKeyUKIIVKDDIWQSCH-UHFFFAOYSA-N
XLogP2.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
CID 82422165
1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420484
1-(3,4-difluorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
CID 82420959
1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one
CID 82422131
3-(butylaminomethyl)-1-(2,5-difluorophenyl)-6-methylpyridazin-4-one
CID 82421607
3-(butylaminomethyl)-1-(2-ethylphenyl)-6-methylpyridazin-4-one
CID 82419883
1-(3-chloro-4-fluorophenyl)-3-(chloromethyl)-6-methylpyridazin-4-one
CID 82420490
3-[(butan-2-ylamino)methyl]-1-(3-chlorophenyl)-6-methylpyridazin-4-one
CID 82419695
1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420193
3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one
CID 82421029
3-(butylaminomethyl)-1-(2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82419519
1-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one
CID 82419439

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-methyl-3-(propylaminomethyl)pyridazin-4-one?
The IUPAC name of 1-(4-chlorophenyl)-6-methyl-3-(propylaminomethyl)pyridazin-4-one (CID 82422160) is 1-(4-chlorophenyl)-6-methyl-3-(propylaminomethyl)pyridazin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-6-methyl-3-(propylaminomethyl)pyridazin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-6-methyl-3-(propylaminomethyl)pyridazin-4-one is CCCNCc1nn(-c2ccc(Cl)cc2)c(C)cc1=O.
What is the InChIKey of 1-(4-chlorophenyl)-6-methyl-3-(propylaminomethyl)pyridazin-4-one?
The InChIKey is UKIIVKDDIWQSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-8-17-10-14-15(20)9-11(2)19(18-14)13-6-4-12(16)5-7-13/h4-7,9,17H,3,8,10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-6-methyl-3-(propylaminomethyl)pyridazin-4-one?
1-(4-chlorophenyl)-6-methyl-3-(propylaminomethyl)pyridazin-4-one has a molecular weight of 291.78 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-methyl-3-(propylaminomethyl)pyridazin-4-one is sourced from PubChem (CID 82422160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).