2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one

C16H21N3O2 — CID 106548508

IUPAC2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one
SMILESCCNCc1ccc(OC)c(Cn2ncc(C)cc2=O)c1
InChIInChI=1S/C16H21N3O2/c1-4-17-10-13-5-6-15(21-3)14(8-13)11-19-16(20)7-12(2)9-18-19/h5-9,17H,4,10-11H2,1-3H3
InChIKeyFXFHMNBCYILSSC-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.72
Rot. Bonds6

About 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one

2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one (PubChem CID 106548508) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one
PubChem CID106548508
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one
SMILESCCNCc1ccc(OC)c(Cn2ncc(C)cc2=O)c1
InChIInChI=1S/C16H21N3O2/c1-4-17-10-13-5-6-15(21-3)14(8-13)11-19-16(20)7-12(2)9-18-19/h5-9,17H,4,10-11H2,1-3H3
InChIKeyFXFHMNBCYILSSC-UHFFFAOYSA-N
XLogP1.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one
CID 106548362
2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]pyridazin-3-one
CID 62850130
4-methoxy-3-[(4-methyl-6-oxopyridazin-1-yl)methyl]benzenecarbothioamide
CID 106548701
1-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-6-methylpyridin-2-one
CID 62019127
2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one
CID 62850131
5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one
CID 103218397
methyl 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methylsulfanyl]acetate
CID 64613327
methyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 106548424
5-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol
CID 19627526
N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62019466
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine
CID 62019095
2-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-5-methylpyridazin-3-one
CID 106548987

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one (CID 106548508) is 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one is CCNCc1ccc(OC)c(Cn2ncc(C)cc2=O)c1.
What is the InChIKey of 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one?
The InChIKey is FXFHMNBCYILSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-17-10-13-5-6-15(21-3)14(8-13)11-19-16(20)7-12(2)9-18-19/h5-9,17H,4,10-11H2,1-3H3.
What are the key properties of 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one?
2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one has a molecular weight of 287.36 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).