5-(2-aminoethoxy)-2-[3-(dimethylamino)propyl]pyridazin-3-one

C11H20N4O2 — CID 103222680

IUPAC5-(2-aminoethoxy)-2-[3-(dimethylamino)propyl]pyridazin-3-one
SMILESCN(C)CCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C11H20N4O2/c1-14(2)5-3-6-15-11(16)8-10(9-13-15)17-7-4-12/h8-9H,3-7,12H2,1-2H3
InChIKeyHFVYVOOWVLYERM-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.47
Rot. Bonds7

About 5-(2-aminoethoxy)-2-[3-(dimethylamino)propyl]pyridazin-3-one

5-(2-aminoethoxy)-2-[3-(dimethylamino)propyl]pyridazin-3-one (PubChem CID 103222680) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-[3-(dimethylamino)propyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-[3-(dimethylamino)propyl]pyridazin-3-one
PubChem CID103222680
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name5-(2-aminoethoxy)-2-[3-(dimethylamino)propyl]pyridazin-3-one
SMILESCN(C)CCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C11H20N4O2/c1-14(2)5-3-6-15-11(16)8-10(9-13-15)17-7-4-12/h8-9H,3-7,12H2,1-2H3
InChIKeyHFVYVOOWVLYERM-UHFFFAOYSA-N
XLogP-0.47
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.47
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-[3-(dimethylamino)propyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-[3-(dimethylamino)propyl]pyridazin-3-one (CID 103222680) is 5-(2-aminoethoxy)-2-[3-(dimethylamino)propyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-[3-(dimethylamino)propyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-[3-(dimethylamino)propyl]pyridazin-3-one is CN(C)CCCn1ncc(OCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethoxy)-2-[3-(dimethylamino)propyl]pyridazin-3-one?
The InChIKey is HFVYVOOWVLYERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-14(2)5-3-6-15-11(16)8-10(9-13-15)17-7-4-12/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 5-(2-aminoethoxy)-2-[3-(dimethylamino)propyl]pyridazin-3-one?
5-(2-aminoethoxy)-2-[3-(dimethylamino)propyl]pyridazin-3-one has a molecular weight of 240.31 g/mol, XLogP of -0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-[3-(dimethylamino)propyl]pyridazin-3-one is sourced from PubChem (CID 103222680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).