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

C17H23N3O2 — CID 82420277

IUPAC1-(2,6-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
SMILESCOCCNCc1nn(-c2c(C)cccc2C)c(C)cc1=O
InChIInChI=1S/C17H23N3O2/c1-12-6-5-7-13(2)17(12)20-14(3)10-16(21)15(19-20)11-18-8-9-22-4/h5-7,10,18H,8-9,11H2,1-4H3
InChIKeyNIZXCKLUXJRURJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.89
Rot. Bonds6

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

1-(2,6-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one (PubChem CID 82420277) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
PubChem CID82420277
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(2,6-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
SMILESCOCCNCc1nn(-c2c(C)cccc2C)c(C)cc1=O
InChIInChI=1S/C17H23N3O2/c1-12-6-5-7-13(2)17(12)20-14(3)10-16(21)15(19-20)11-18-8-9-22-4/h5-7,10,18H,8-9,11H2,1-4H3
InChIKeyNIZXCKLUXJRURJ-UHFFFAOYSA-N
XLogP1.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.89
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

3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82419522
1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
CID 82422165
1-(3,4-difluorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
CID 82420959
3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one
CID 82420285
1-(3-methoxyphenyl)-6-methyl-3-[(2-methylpropylamino)methyl]pyridazin-4-one
CID 82421034
3-(butylaminomethyl)-1-(2-ethylphenyl)-6-methylpyridazin-4-one
CID 82419883
1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420193
6-(3,4-dimethylphenyl)-4-[(2-methoxyethylamino)methyl]-2-methylpyridazin-3-one
CID 82443932
N-[[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 65499863
N'-[(2,3-dimethylphenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405496
6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one
CID 82520167
2-methoxy-N-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440069

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one (CID 82420277) is 1-(2,6-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one is COCCNCc1nn(-c2c(C)cccc2C)c(C)cc1=O.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one?
The InChIKey is NIZXCKLUXJRURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-6-5-7-13(2)17(12)20-14(3)10-16(21)15(19-20)11-18-8-9-22-4/h5-7,10,18H,8-9,11H2,1-4H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one?
1-(2,6-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one has a molecular weight of 301.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one is sourced from PubChem (CID 82420277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).