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

C15H19N3O2 — CID 103222695

IUPAC5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
SMILESCc1cc(C)cc(Cn2ncc(OCCN)cc2=O)c1
InChIInChI=1S/C15H19N3O2/c1-11-5-12(2)7-13(6-11)10-18-15(19)8-14(9-17-18)20-4-3-16/h5-9H,3-4,10,16H2,1-2H3
InChIKeyDZWYQQPJYAFYNS-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.25
Rot. Bonds5

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

5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one (PubChem CID 103222695) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
PubChem CID103222695
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
SMILESCc1cc(C)cc(Cn2ncc(OCCN)cc2=O)c1
InChIInChI=1S/C15H19N3O2/c1-11-5-12(2)7-13(6-11)10-18-15(19)8-14(9-17-18)20-4-3-16/h5-9H,3-4,10,16H2,1-2H3
InChIKeyDZWYQQPJYAFYNS-UHFFFAOYSA-N
XLogP1.25
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one (CID 103222695) is 5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one is Cc1cc(C)cc(Cn2ncc(OCCN)cc2=O)c1.
What is the InChIKey of 5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one?
The InChIKey is DZWYQQPJYAFYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-5-12(2)7-13(6-11)10-18-15(19)8-14(9-17-18)20-4-3-16/h5-9H,3-4,10,16H2,1-2H3.
What are the key properties of 5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one?
5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one has a molecular weight of 273.34 g/mol, XLogP of 1.25, 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-[(3,5-dimethylphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 103222695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).