2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one

C16H21N3O2 — CID 62850668

IUPAC2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one
SMILESCCNC(C)c1ccc(OC)c(Cn2ncccc2=O)c1
InChIInChI=1S/C16H21N3O2/c1-4-17-12(2)13-7-8-15(21-3)14(10-13)11-19-16(20)6-5-9-18-19/h5-10,12,17H,4,11H2,1-3H3
InChIKeyUSAFTYDADYBOJA-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.97
Rot. Bonds6

About 2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one

2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one (PubChem CID 62850668) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one
PubChem CID62850668
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one
SMILESCCNC(C)c1ccc(OC)c(Cn2ncccc2=O)c1
InChIInChI=1S/C16H21N3O2/c1-4-17-12(2)13-7-8-15(21-3)14(10-13)11-19-16(20)6-5-9-18-19/h5-10,12,17H,4,11H2,1-3H3
InChIKeyUSAFTYDADYBOJA-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one
CID 62849248
1-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]-3-methylimidazol-2-one
CID 80579494
2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one
CID 62850131
N-ethyl-1-[4-methoxy-3-(methylsulfonylmethyl)phenyl]ethanamine
CID 55112329
N-ethyl-1-[4-methoxy-3-(2-methylpropylsulfinylmethyl)phenyl]ethanamine
CID 64652652
1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 71968625
(1S)-1-(3-chloro-4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 95612012
N-ethyl-1-[4-methoxy-3-(3-methylbutylsulfanylmethyl)phenyl]ethanamine
CID 107764159
1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 75427787
(1S)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]ethanamine
CID 93342575
1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine
CID 81036797
N-ethyl-1-[4-methoxy-3-(pentylsulfanylmethyl)phenyl]ethanamine
CID 107763041

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one (CID 62850668) is 2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one is CCNC(C)c1ccc(OC)c(Cn2ncccc2=O)c1.
What is the InChIKey of 2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one?
The InChIKey is USAFTYDADYBOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-17-12(2)13-7-8-15(21-3)14(10-13)11-19-16(20)6-5-9-18-19/h5-10,12,17H,4,11H2,1-3H3.
What are the key properties of 2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one?
2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one has a molecular weight of 287.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 62850668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).