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

C13H14FN3O2 — CID 103222846

IUPAC5-(2-aminoethoxy)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
SMILESNCCOc1cnn(Cc2cccc(F)c2)c(=O)c1
InChIInChI=1S/C13H14FN3O2/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
InChIKeyJGSPQKYUUWXTHZ-UHFFFAOYSA-N
MW263.27 g/mol
LogP0.77
Rot. Bonds5

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

5-(2-aminoethoxy)-2-[(3-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 103222846) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-[(3-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
PubChem CID103222846
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name5-(2-aminoethoxy)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
SMILESNCCOc1cnn(Cc2cccc(F)c2)c(=O)c1
InChIInChI=1S/C13H14FN3O2/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
InChIKeyJGSPQKYUUWXTHZ-UHFFFAOYSA-N
XLogP0.77
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one
CID 103222750
5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
CID 103223183
2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride
CID 164576523
5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103222695
5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
CID 103223131
5-(3-aminopropoxy)-2-[(2-bromo-4-fluorophenyl)methyl]pyridazin-3-one
CID 103223296
5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one
CID 103223290
5-(2-aminoethoxy)-2-propylpyridazin-3-one
CID 103222684
5-(3-aminopropoxy)-2-[(4-bromo-2-fluorophenyl)methyl]pyridazin-3-one
CID 103223196
5-(2-aminopropoxy)-2-benzylpyridazin-3-one
CID 103223013
5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one
CID 103222731
[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methanamine
CID 63278587

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-[(3-fluorophenyl)methyl]pyridazin-3-one (CID 103222846) is 5-(2-aminoethoxy)-2-[(3-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-[(3-fluorophenyl)methyl]pyridazin-3-one is NCCOc1cnn(Cc2cccc(F)c2)c(=O)c1.
What is the InChIKey of 5-(2-aminoethoxy)-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is JGSPQKYUUWXTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/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-fluorophenyl)methyl]pyridazin-3-one?
5-(2-aminoethoxy)-2-[(3-fluorophenyl)methyl]pyridazin-3-one has a molecular weight of 263.27 g/mol, XLogP of 0.77, 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-fluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 103222846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).