2-[2-(ethylamino)-2-(3-methylphenyl)ethyl]-6-methoxypyridazin-3-one

C16H21N3O2 — CID 105061640

IUPAC2-[2-(ethylamino)-2-(3-methylphenyl)ethyl]-6-methoxypyridazin-3-one
SMILESCCNC(Cn1nc(OC)ccc1=O)c1cccc(C)c1
InChIInChI=1S/C16H21N3O2/c1-4-17-14(13-7-5-6-12(2)10-13)11-19-16(20)9-8-15(18-19)21-3/h5-10,14,17H,4,11H2,1-3H3
InChIKeyIHVFDJSGSTUNDS-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.91
Rot. Bonds6

About 2-[2-(ethylamino)-2-(3-methylphenyl)ethyl]-6-methoxypyridazin-3-one

2-[2-(ethylamino)-2-(3-methylphenyl)ethyl]-6-methoxypyridazin-3-one (PubChem CID 105061640) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[2-(ethylamino)-2-(3-methylphenyl)ethyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-(ethylamino)-2-(3-methylphenyl)ethyl]-6-methoxypyridazin-3-one
PubChem CID105061640
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[2-(ethylamino)-2-(3-methylphenyl)ethyl]-6-methoxypyridazin-3-one
SMILESCCNC(Cn1nc(OC)ccc1=O)c1cccc(C)c1
InChIInChI=1S/C16H21N3O2/c1-4-17-14(13-7-5-6-12(2)10-13)11-19-16(20)9-8-15(18-19)21-3/h5-10,14,17H,4,11H2,1-3H3
InChIKeyIHVFDJSGSTUNDS-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(ethylamino)-2-phenylethyl]-6-methylpyridazin-3-one
CID 62923203
N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 103374514
2-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]-6-methoxypyridazin-3-one
CID 105062059
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one
CID 105061939
3-(ethylamino)-3-(3-methylphenyl)propan-1-ol
CID 64812392
N,3-diethyl-1-(3-methylphenyl)pentan-1-amine
CID 82922212
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782
6-methyl-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
CID 62923540
1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol
CID 106674066
N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 55098067

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-2-(3-methylphenyl)ethyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[2-(ethylamino)-2-(3-methylphenyl)ethyl]-6-methoxypyridazin-3-one (CID 105061640) is 2-[2-(ethylamino)-2-(3-methylphenyl)ethyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[2-(ethylamino)-2-(3-methylphenyl)ethyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[2-(ethylamino)-2-(3-methylphenyl)ethyl]-6-methoxypyridazin-3-one is CCNC(Cn1nc(OC)ccc1=O)c1cccc(C)c1.
What is the InChIKey of 2-[2-(ethylamino)-2-(3-methylphenyl)ethyl]-6-methoxypyridazin-3-one?
The InChIKey is IHVFDJSGSTUNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-17-14(13-7-5-6-12(2)10-13)11-19-16(20)9-8-15(18-19)21-3/h5-10,14,17H,4,11H2,1-3H3.
What are the key properties of 2-[2-(ethylamino)-2-(3-methylphenyl)ethyl]-6-methoxypyridazin-3-one?
2-[2-(ethylamino)-2-(3-methylphenyl)ethyl]-6-methoxypyridazin-3-one has a molecular weight of 287.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-2-(3-methylphenyl)ethyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).