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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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).