2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one

C13H15N3O2 — CID 62849597

IUPAC2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one
SMILESCOc1ccc(C(N)Cn2ncccc2=O)cc1
InChIInChI=1S/C13H15N3O2/c1-18-11-6-4-10(5-7-11)12(14)9-16-13(17)3-2-8-15-16/h2-8,12H,9,14H2,1H3
InChIKeyOJWAIUVYOARLLU-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.95
Rot. Bonds4

About 2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one

2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one (PubChem CID 62849597) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one
PubChem CID62849597
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one
SMILESCOc1ccc(C(N)Cn2ncccc2=O)cc1
InChIInChI=1S/C13H15N3O2/c1-18-11-6-4-10(5-7-11)12(14)9-16-13(17)3-2-8-15-16/h2-8,12H,9,14H2,1H3
InChIKeyOJWAIUVYOARLLU-UHFFFAOYSA-N
XLogP0.95
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-amino-2-(2-methoxyphenyl)ethyl]pyridazin-3-one
CID 62850491
2-(2-aminobutyl)pyridazin-3-one
CID 62850307
2-[2-amino-2-(4-methoxyphenyl)ethyl]phthalazin-1-one
CID 16782663
3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one
CID 63767954
2-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one
CID 55126872
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylimidazol-2-one
CID 80581913
2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine
CID 115038406
3-[2-amino-2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-one
CID 61224182
2-(2-hydroxy-2-naphthalen-2-ylethyl)pyridazin-3-one
CID 62849976
3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64834711
1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one
CID 16791728
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione
CID 61237914

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one (CID 62849597) is 2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one is COc1ccc(C(N)Cn2ncccc2=O)cc1.
What is the InChIKey of 2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one?
The InChIKey is OJWAIUVYOARLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-11-6-4-10(5-7-11)12(14)9-16-13(17)3-2-8-15-16/h2-8,12H,9,14H2,1H3.
What are the key properties of 2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one?
2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one has a molecular weight of 245.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one is sourced from PubChem (CID 62849597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).