5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one

C16H21N3O2 — CID 82446197

IUPAC5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one
SMILESCNCc1cc(-c2ccc(OCC(C)C)cc2)n[nH]c1=O
InChIInChI=1S/C16H21N3O2/c1-11(2)10-21-14-6-4-12(5-7-14)15-8-13(9-17-3)16(20)19-18-15/h4-8,11,17H,9-10H2,1-3H3,(H,19,20)
InChIKeyBQANRKNCBJZEKY-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.19
Rot. Bonds6

About 5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one

5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one (PubChem CID 82446197) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one
PubChem CID82446197
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one
SMILESCNCc1cc(-c2ccc(OCC(C)C)cc2)n[nH]c1=O
InChIInChI=1S/C16H21N3O2/c1-11(2)10-21-14-6-4-12(5-7-14)15-8-13(9-17-3)16(20)19-18-15/h4-8,11,17H,9-10H2,1-3H3,(H,19,20)
InChIKeyBQANRKNCBJZEKY-UHFFFAOYSA-N
XLogP2.19
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one
CID 82446062
3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one
CID 82446311
5-(aminomethyl)-3-(4-propoxyphenyl)-1H-pyridazin-6-one
CID 82446164
3-[3-(2-methylpropoxy)phenyl]-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446055
5-[(butan-2-ylamino)methyl]-3-(4-ethylphenyl)-1H-pyridazin-6-one
CID 82445482
1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine
CID 54847503
N-methyl-1-[3-(4-pentoxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 54847474
N-methyl-1-[3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine
CID 54847044
5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one
CID 82446483
3-[3-(4-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoyl chloride
CID 82446122
6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one
CID 82444331
3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one
CID 82445686

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one (CID 82446197) is 5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one is CNCc1cc(-c2ccc(OCC(C)C)cc2)n[nH]c1=O.
What is the InChIKey of 5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one?
The InChIKey is BQANRKNCBJZEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)10-21-14-6-4-12(5-7-14)15-8-13(9-17-3)16(20)19-18-15/h4-8,11,17H,9-10H2,1-3H3,(H,19,20).
What are the key properties of 5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one?
5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one has a molecular weight of 287.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 82446197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).