6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one

C17H23N3O — CID 82446687

IUPAC6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccc(C)c(C)c2)cc(CNC)c1=O
InChIInChI=1S/C17H23N3O/c1-5-8-20-17(21)15(11-18-4)10-16(19-20)14-7-6-12(2)13(3)9-14/h6-7,9-10,18H,5,8,11H2,1-4H3
InChIKeyDBKALSOCCRWBIN-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.66
Rot. Bonds5

About 6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one

6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one (PubChem CID 82446687) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one
PubChem CID82446687
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccc(C)c(C)c2)cc(CNC)c1=O
InChIInChI=1S/C17H23N3O/c1-5-8-20-17(21)15(11-18-4)10-16(19-20)14-7-6-12(2)13(3)9-14/h6-7,9-10,18H,5,8,11H2,1-4H3
InChIKeyDBKALSOCCRWBIN-UHFFFAOYSA-N
XLogP2.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one
CID 82446684
2-[6-(3,4-dimethylphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile
CID 82444849
4-(butylaminomethyl)-6-(3,4-dimethylphenyl)-2-methylpyridazin-3-one
CID 82443929
2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one
CID 82443800
2-butyl-6-(3,4-dimethylphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447088
2-butyl-6-(3,4-dimethylphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82447089
4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one
CID 82446587
6-(3,4-dimethylphenyl)-4-[(2-methoxyethylamino)methyl]-2-methylpyridazin-3-one
CID 82443932
6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82446742
6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447368
2-[3-oxo-2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-4-yl]acetonitrile
CID 82446725
1-[3-(3,4-dimethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
CID 39096758

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one?
The IUPAC name of 6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one (CID 82446687) is 6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one?
The canonical SMILES for 6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one is CCCn1nc(-c2ccc(C)c(C)c2)cc(CNC)c1=O.
What is the InChIKey of 6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one?
The InChIKey is DBKALSOCCRWBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-8-20-17(21)15(11-18-4)10-16(19-20)14-7-6-12(2)13(3)9-14/h6-7,9-10,18H,5,8,11H2,1-4H3.
What are the key properties of 6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one?
6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one has a molecular weight of 285.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one is sourced from PubChem (CID 82446687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).