6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one

C17H23N3O — CID 82442346

IUPAC6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
SMILESCc1ccc(C(N)c2ccc(=O)n(CC(C)C)n2)cc1C
InChIInChI=1S/C17H23N3O/c1-11(2)10-20-16(21)8-7-15(19-20)17(18)14-6-5-12(3)13(4)9-14/h5-9,11,17H,10,18H2,1-4H3
InChIKeyHBUIVBUPSGRYIM-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.56
Rot. Bonds4

About 6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one

6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 82442346) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
PubChem CID82442346
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
SMILESCc1ccc(C(N)c2ccc(=O)n(CC(C)C)n2)cc1C
InChIInChI=1S/C17H23N3O/c1-11(2)10-20-16(21)8-7-15(19-20)17(18)14-6-5-12(3)13(4)9-14/h5-9,11,17H,10,18H2,1-4H3
InChIKeyHBUIVBUPSGRYIM-UHFFFAOYSA-N
XLogP2.56
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one (CID 82442346) is 6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one is Cc1ccc(C(N)c2ccc(=O)n(CC(C)C)n2)cc1C.
What is the InChIKey of 6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is HBUIVBUPSGRYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(2)10-20-16(21)8-7-15(19-20)17(18)14-6-5-12(3)13(4)9-14/h5-9,11,17H,10,18H2,1-4H3.
What are the key properties of 6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one?
6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 285.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 82442346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).