2-[2-(3-bromophenoxy)ethyl]-5-(ethylamino)pyridazin-3-one

C14H16BrN3O2 — CID 103218905

IUPAC2-[2-(3-bromophenoxy)ethyl]-5-(ethylamino)pyridazin-3-one
SMILESCCNc1cnn(CCOc2cccc(Br)c2)c(=O)c1
InChIInChI=1S/C14H16BrN3O2/c1-2-16-12-9-14(19)18(17-10-12)6-7-20-13-5-3-4-11(15)8-13/h3-5,8-10,16H,2,6-7H2,1H3
InChIKeyCLSLVISGXIBGMS-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.52
Rot. Bonds6

About 2-[2-(3-bromophenoxy)ethyl]-5-(ethylamino)pyridazin-3-one

2-[2-(3-bromophenoxy)ethyl]-5-(ethylamino)pyridazin-3-one (PubChem CID 103218905) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-[2-(3-bromophenoxy)ethyl]-5-(ethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(3-bromophenoxy)ethyl]-5-(ethylamino)pyridazin-3-one
PubChem CID103218905
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name2-[2-(3-bromophenoxy)ethyl]-5-(ethylamino)pyridazin-3-one
SMILESCCNc1cnn(CCOc2cccc(Br)c2)c(=O)c1
InChIInChI=1S/C14H16BrN3O2/c1-2-16-12-9-14(19)18(17-10-12)6-7-20-13-5-3-4-11(15)8-13/h3-5,8-10,16H,2,6-7H2,1H3
InChIKeyCLSLVISGXIBGMS-UHFFFAOYSA-N
XLogP2.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylamino)ethyl]-5-(ethylamino)pyridazin-3-one
CID 103219051
2-[2-(4-bromophenoxy)ethyl]-5-methylpyridazin-3-one
CID 106548893
N-[[1-[2-(3-bromophenoxy)ethyl]pyrazol-4-yl]methyl]ethanamine
CID 55110916
1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one
CID 54970700
1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione
CID 7823968
1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione
CID 82124588
[1-[2-(3-bromophenoxy)ethyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82700763
2-[2-(3-bromophenoxy)ethyl]isoindole-1,3-dione;ethane
CID 91468658
1-[1-[2-(3-bromophenoxy)ethyl]pyrazol-4-yl]ethanone
CID 62728540
5-[(3-bromophenoxy)methyl]-1-methylpyrazol-4-amine
CID 117217778
5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 103218930
1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol
CID 116799367

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenoxy)ethyl]-5-(ethylamino)pyridazin-3-one?
The IUPAC name of 2-[2-(3-bromophenoxy)ethyl]-5-(ethylamino)pyridazin-3-one (CID 103218905) is 2-[2-(3-bromophenoxy)ethyl]-5-(ethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-(3-bromophenoxy)ethyl]-5-(ethylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-(3-bromophenoxy)ethyl]-5-(ethylamino)pyridazin-3-one is CCNc1cnn(CCOc2cccc(Br)c2)c(=O)c1.
What is the InChIKey of 2-[2-(3-bromophenoxy)ethyl]-5-(ethylamino)pyridazin-3-one?
The InChIKey is CLSLVISGXIBGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-2-16-12-9-14(19)18(17-10-12)6-7-20-13-5-3-4-11(15)8-13/h3-5,8-10,16H,2,6-7H2,1H3.
What are the key properties of 2-[2-(3-bromophenoxy)ethyl]-5-(ethylamino)pyridazin-3-one?
2-[2-(3-bromophenoxy)ethyl]-5-(ethylamino)pyridazin-3-one has a molecular weight of 338.21 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenoxy)ethyl]-5-(ethylamino)pyridazin-3-one is sourced from PubChem (CID 103218905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).