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

C11H20N4O2 — CID 103482434

IUPAC2-[2-(2-aminoethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CCOCCN)c(=O)c1
InChIInChI=1S/C11H20N4O2/c1-3-14(2)10-8-11(16)15(13-9-10)5-7-17-6-4-12/h8-9H,3-7,12H2,1-2H3
InChIKeyVLDLWWJDCFCISH-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.33
Rot. Bonds7

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

2-[2-(2-aminoethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 103482434) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID103482434
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[2-(2-aminoethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CCOCCN)c(=O)c1
InChIInChI=1S/C11H20N4O2/c1-3-14(2)10-8-11(16)15(13-9-10)5-7-17-6-4-12/h8-9H,3-7,12H2,1-2H3
InChIKeyVLDLWWJDCFCISH-UHFFFAOYSA-N
XLogP-0.33
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 ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-(2-aminoethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one (CID 103482434) is 2-[2-(2-aminoethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one is CCN(C)c1cnn(CCOCCN)c(=O)c1.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is VLDLWWJDCFCISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-14(2)10-8-11(16)15(13-9-10)5-7-17-6-4-12/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 2-[2-(2-aminoethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
2-[2-(2-aminoethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 240.31 g/mol, XLogP of -0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 103482434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).