5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one

C16H21N3O — CID 82445513

IUPAC5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one
SMILESCCNCc1cc(-c2ccc(C(C)C)cc2)n[nH]c1=O
InChIInChI=1S/C16H21N3O/c1-4-17-10-14-9-15(18-19-16(14)20)13-7-5-12(6-8-13)11(2)3/h5-9,11,17H,4,10H2,1-3H3,(H,19,20)
InChIKeyRGBVVAJSGLAZEP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.67
Rot. Bonds5

About 5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one

5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one (PubChem CID 82445513) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one
PubChem CID82445513
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one
SMILESCCNCc1cc(-c2ccc(C(C)C)cc2)n[nH]c1=O
InChIInChI=1S/C16H21N3O/c1-4-17-10-14-9-15(18-19-16(14)20)13-7-5-12(6-8-13)11(2)3/h5-9,11,17H,4,10H2,1-3H3,(H,19,20)
InChIKeyRGBVVAJSGLAZEP-UHFFFAOYSA-N
XLogP2.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1H-pyridazin-6-one
CID 82446251
3-phenyl-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82445383
3-(4-ethylphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82445478
5-(butylaminomethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445436
5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one
CID 82446530
5-[(butan-2-ylamino)methyl]-3-(4-ethylphenyl)-1H-pyridazin-6-one
CID 82445482
3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one
CID 82446062
3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one
CID 82445686
5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one
CID 82445389
5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one
CID 82446197
5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445428
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 63424855

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one (CID 82445513) is 5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one is CCNCc1cc(-c2ccc(C(C)C)cc2)n[nH]c1=O.
What is the InChIKey of 5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one?
The InChIKey is RGBVVAJSGLAZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-17-10-14-9-15(18-19-16(14)20)13-7-5-12(6-8-13)11(2)3/h5-9,11,17H,4,10H2,1-3H3,(H,19,20).
What are the key properties of 5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one?
5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one has a molecular weight of 271.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 82445513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).