2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one

C16H21N3O — CID 82443803

IUPAC2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one
SMILESCCCNCc1cc(-c2ccc(C)cc2)nn(C)c1=O
InChIInChI=1S/C16H21N3O/c1-4-9-17-11-14-10-15(18-19(3)16(14)20)13-7-5-12(2)6-8-13/h5-8,10,17H,4,9,11H2,1-3H3
InChIKeyFRIMQLQNRQRDHJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.26
Rot. Bonds5

About 2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one

2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one (PubChem CID 82443803) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one
PubChem CID82443803
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one
SMILESCCCNCc1cc(-c2ccc(C)cc2)nn(C)c1=O
InChIInChI=1S/C16H21N3O/c1-4-9-17-11-14-10-15(18-19(3)16(14)20)13-7-5-12(2)6-8-13/h5-8,10,17H,4,9,11H2,1-3H3
InChIKeyFRIMQLQNRQRDHJ-UHFFFAOYSA-N
XLogP2.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.26
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

6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one
CID 82444010
2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one
CID 82443800
4-(butylaminomethyl)-6-(3,4-dimethylphenyl)-2-methylpyridazin-3-one
CID 82443929
4-(butylaminomethyl)-6-(2,5-dimethylphenyl)-2-methylpyridazin-3-one
CID 82443960
4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one
CID 82443838
6-(3,4-dimethylphenyl)-4-[(2-methoxyethylamino)methyl]-2-methylpyridazin-3-one
CID 82443932
6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82444050
6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one
CID 82444331
6-(4-methoxyphenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82444306
3-phenyl-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82445383
4-(ethylaminomethyl)-2-methyl-6-(3-nitrophenyl)pyridazin-3-one
CID 82444570
5-(butylaminomethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445436

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one (CID 82443803) is 2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one is CCCNCc1cc(-c2ccc(C)cc2)nn(C)c1=O.
What is the InChIKey of 2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one?
The InChIKey is FRIMQLQNRQRDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-9-17-11-14-10-15(18-19(3)16(14)20)13-7-5-12(2)6-8-13/h5-8,10,17H,4,9,11H2,1-3H3.
What are the key properties of 2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one?
2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one has a molecular weight of 271.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one is sourced from PubChem (CID 82443803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).