5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one

C13H14ClN3O2 — CID 103222750

IUPAC5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one
SMILESNCCOc1cnn(Cc2cccc(Cl)c2)c(=O)c1
InChIInChI=1S/C13H14ClN3O2/c14-11-3-1-2-10(6-11)9-17-13(18)7-12(8-16-17)19-5-4-15/h1-3,6-8H,4-5,9,15H2
InChIKeyXUMRUHKKDLLVLH-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.28
Rot. Bonds5

About 5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one

5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one (PubChem CID 103222750) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one
PubChem CID103222750
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one
SMILESNCCOc1cnn(Cc2cccc(Cl)c2)c(=O)c1
InChIInChI=1S/C13H14ClN3O2/c14-11-3-1-2-10(6-11)9-17-13(18)7-12(8-16-17)19-5-4-15/h1-3,6-8H,4-5,9,15H2
InChIKeyXUMRUHKKDLLVLH-UHFFFAOYSA-N
XLogP1.28
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethoxy)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 103222846
5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
CID 103223183
5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103222695
5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one
CID 103223290
2-[(3-chlorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
CID 103220548
5-(2-aminoethoxy)-2-propylpyridazin-3-one
CID 103222684
5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one
CID 103222890
5-(2-aminopropoxy)-2-benzylpyridazin-3-one
CID 103223013
5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one
CID 103223127
5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
CID 103223131
5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one
CID 103222731
4-[3-(1-benzyl-6-oxopyridazin-4-yl)oxypropanoyl]isoindole-1,3-dione
CID 19104999

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one (CID 103222750) is 5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one is NCCOc1cnn(Cc2cccc(Cl)c2)c(=O)c1.
What is the InChIKey of 5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one?
The InChIKey is XUMRUHKKDLLVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c14-11-3-1-2-10(6-11)9-17-13(18)7-12(8-16-17)19-5-4-15/h1-3,6-8H,4-5,9,15H2.
What are the key properties of 5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one?
5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one has a molecular weight of 279.73 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 103222750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).