3-[(cyclopropylamino)methyl]-1-(3,5-dimethylphenyl)-6-methylpyridazin-4-one

C17H21N3O — CID 82421276

IUPAC3-[(cyclopropylamino)methyl]-1-(3,5-dimethylphenyl)-6-methylpyridazin-4-one
SMILESCc1cc(C)cc(-n2nc(CNC3CC3)c(=O)cc2C)c1
InChIInChI=1S/C17H21N3O/c1-11-6-12(2)8-15(7-11)20-13(3)9-17(21)16(19-20)10-18-14-4-5-14/h6-9,14,18H,4-5,10H2,1-3H3
InChIKeyOZANDIXQLOGSKI-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.41
Rot. Bonds4

About 3-[(cyclopropylamino)methyl]-1-(3,5-dimethylphenyl)-6-methylpyridazin-4-one

3-[(cyclopropylamino)methyl]-1-(3,5-dimethylphenyl)-6-methylpyridazin-4-one (PubChem CID 82421276) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-1-(3,5-dimethylphenyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-1-(3,5-dimethylphenyl)-6-methylpyridazin-4-one
PubChem CID82421276
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-[(cyclopropylamino)methyl]-1-(3,5-dimethylphenyl)-6-methylpyridazin-4-one
SMILESCc1cc(C)cc(-n2nc(CNC3CC3)c(=O)cc2C)c1
InChIInChI=1S/C17H21N3O/c1-11-6-12(2)8-15(7-11)20-13(3)9-17(21)16(19-20)10-18-14-4-5-14/h6-9,14,18H,4-5,10H2,1-3H3
InChIKeyOZANDIXQLOGSKI-UHFFFAOYSA-N
XLogP2.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(cyclopropylamino)methyl]-6-methyl-1-(4-propan-2-ylphenyl)pyridazin-4-one
CID 82421425
6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one
CID 82420089
1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82419228
3-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)pyridazin-4-one
CID 82419138
3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one
CID 82421029
6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one
CID 82421061
N-[[3-(3,5-dimethylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 79484471
N-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 107447601
(E)-3-[1-(3,5-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]prop-2-enoic acid
CID 82421292
1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
CID 82422165
3-(aminomethyl)-1-(4-bromophenyl)-6-methylpyridazin-4-one
CID 82419304
3-[(butan-2-ylamino)methyl]-1-(3-chlorophenyl)-6-methylpyridazin-4-one
CID 82419695

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-1-(3,5-dimethylphenyl)-6-methylpyridazin-4-one?
The IUPAC name of 3-[(cyclopropylamino)methyl]-1-(3,5-dimethylphenyl)-6-methylpyridazin-4-one (CID 82421276) is 3-[(cyclopropylamino)methyl]-1-(3,5-dimethylphenyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-1-(3,5-dimethylphenyl)-6-methylpyridazin-4-one?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-1-(3,5-dimethylphenyl)-6-methylpyridazin-4-one is Cc1cc(C)cc(-n2nc(CNC3CC3)c(=O)cc2C)c1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-1-(3,5-dimethylphenyl)-6-methylpyridazin-4-one?
The InChIKey is OZANDIXQLOGSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-6-12(2)8-15(7-11)20-13(3)9-17(21)16(19-20)10-18-14-4-5-14/h6-9,14,18H,4-5,10H2,1-3H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-1-(3,5-dimethylphenyl)-6-methylpyridazin-4-one?
3-[(cyclopropylamino)methyl]-1-(3,5-dimethylphenyl)-6-methylpyridazin-4-one has a molecular weight of 283.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-1-(3,5-dimethylphenyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 82421276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).