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

C15H19N3O2 — CID 62850130

IUPAC2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]pyridazin-3-one
SMILESCCNCc1ccc(OC)c(Cn2ncccc2=O)c1
InChIInChI=1S/C15H19N3O2/c1-3-16-10-12-6-7-14(20-2)13(9-12)11-18-15(19)5-4-8-17-18/h4-9,16H,3,10-11H2,1-2H3
InChIKeyYIIVGNRFLPYCJD-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.41
Rot. Bonds6

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

2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]pyridazin-3-one (PubChem CID 62850130) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]pyridazin-3-one
PubChem CID62850130
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]pyridazin-3-one
SMILESCCNCc1ccc(OC)c(Cn2ncccc2=O)c1
InChIInChI=1S/C15H19N3O2/c1-3-16-10-12-6-7-14(20-2)13(9-12)11-18-15(19)5-4-8-17-18/h4-9,16H,3,10-11H2,1-2H3
InChIKeyYIIVGNRFLPYCJD-UHFFFAOYSA-N
XLogP1.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.41
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-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one
CID 62850131
2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one
CID 106548508
2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one
CID 62850668
1-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-6-methylpyridin-2-one
CID 62019127
methyl 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methylsulfanyl]acetate
CID 64613327
N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine
CID 19625048
2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one
CID 62849248
2-[[3-(3-aminoprop-1-ynyl)-4-methoxyphenyl]methyl]pyridazin-3-one
CID 62848738
N-[[3-(butan-2-ylsulfinylmethyl)-4-methoxyphenyl]methyl]ethanamine
CID 64652313
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
1-(3-bromophenyl)-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]methanamine
CID 20956367

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]pyridazin-3-one (CID 62850130) is 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]pyridazin-3-one is CCNCc1ccc(OC)c(Cn2ncccc2=O)c1.
What is the InChIKey of 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]pyridazin-3-one?
The InChIKey is YIIVGNRFLPYCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-16-10-12-6-7-14(20-2)13(9-12)11-18-15(19)5-4-8-17-18/h4-9,16H,3,10-11H2,1-2H3.
What are the key properties of 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]pyridazin-3-one?
2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]pyridazin-3-one has a molecular weight of 273.34 g/mol, XLogP of 1.41, 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]pyridazin-3-one is sourced from PubChem (CID 62850130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).