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

C13H21N3O3 — CID 103222865

IUPAC5-(2-aminoethoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one
SMILESCC1(C)CCC(Cn2ncc(OCCN)cc2=O)O1
InChIInChI=1S/C13H21N3O3/c1-13(2)4-3-10(19-13)9-16-12(17)7-11(8-15-16)18-6-5-14/h7-8,10H,3-6,9,14H2,1-2H3
InChIKeyLTGVVPIWNRXAAM-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.54
Rot. Bonds5

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

5-(2-aminoethoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one (PubChem CID 103222865) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one
PubChem CID103222865
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-(2-aminoethoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one
SMILESCC1(C)CCC(Cn2ncc(OCCN)cc2=O)O1
InChIInChI=1S/C13H21N3O3/c1-13(2)4-3-10(19-13)9-16-12(17)7-11(8-15-16)18-6-5-14/h7-8,10H,3-6,9,14H2,1-2H3
InChIKeyLTGVVPIWNRXAAM-UHFFFAOYSA-N
XLogP0.54
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one (CID 103222865) is 5-(2-aminoethoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one is CC1(C)CCC(Cn2ncc(OCCN)cc2=O)O1.
What is the InChIKey of 5-(2-aminoethoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one?
The InChIKey is LTGVVPIWNRXAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(2)4-3-10(19-13)9-16-12(17)7-11(8-15-16)18-6-5-14/h7-8,10H,3-6,9,14H2,1-2H3.
What are the key properties of 5-(2-aminoethoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one?
5-(2-aminoethoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one has a molecular weight of 267.33 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103222865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).