[5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine

C14H25N3O3 — CID 104559843

IUPAC[5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine
SMILESCCc1nnc(OCCOCCOC)c(CN)c1CC
InChIInChI=1S/C14H25N3O3/c1-4-11-12(10-15)14(17-16-13(11)5-2)20-9-8-19-7-6-18-3/h4-10,15H2,1-3H3
InChIKeyPUBQOSSNQJSFSQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.10
Rot. Bonds10

About [5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine

[5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine (PubChem CID 104559843) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is [5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine
PubChem CID104559843
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name[5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine
SMILESCCc1nnc(OCCOCCOC)c(CN)c1CC
InChIInChI=1S/C14H25N3O3/c1-4-11-12(10-15)14(17-16-13(11)5-2)20-9-8-19-7-6-18-3/h4-10,15H2,1-3H3
InChIKeyPUBQOSSNQJSFSQ-UHFFFAOYSA-N
XLogP1.10
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.10
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 [5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine (CID 104559843) is [5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine is CCc1nnc(OCCOCCOC)c(CN)c1CC.
What is the InChIKey of [5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine?
The InChIKey is PUBQOSSNQJSFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-4-11-12(10-15)14(17-16-13(11)5-2)20-9-8-19-7-6-18-3/h4-10,15H2,1-3H3.
What are the key properties of [5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine?
[5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine has a molecular weight of 283.37 g/mol, XLogP of 1.10, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine is sourced from PubChem (CID 104559843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).