N-(2-ethoxyethyl)-N-ethyl-6-(ethylaminomethyl)pyridazin-3-amine

C13H24N4O — CID 63691768

IUPACN-(2-ethoxyethyl)-N-ethyl-6-(ethylaminomethyl)pyridazin-3-amine
SMILESCCNCc1ccc(N(CC)CCOCC)nn1
InChIInChI=1S/C13H24N4O/c1-4-14-11-12-7-8-13(16-15-12)17(5-2)9-10-18-6-3/h7-8,14H,4-6,9-11H2,1-3H3
InChIKeyOGEFHLDFUGVGKW-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.45
Rot. Bonds9

About N-(2-ethoxyethyl)-N-ethyl-6-(ethylaminomethyl)pyridazin-3-amine

N-(2-ethoxyethyl)-N-ethyl-6-(ethylaminomethyl)pyridazin-3-amine (PubChem CID 63691768) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-6-(ethylaminomethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-6-(ethylaminomethyl)pyridazin-3-amine
PubChem CID63691768
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-6-(ethylaminomethyl)pyridazin-3-amine
SMILESCCNCc1ccc(N(CC)CCOCC)nn1
InChIInChI=1S/C13H24N4O/c1-4-14-11-12-7-8-13(16-15-12)17(5-2)9-10-18-6-3/h7-8,14H,4-6,9-11H2,1-3H3
InChIKeyOGEFHLDFUGVGKW-UHFFFAOYSA-N
XLogP1.45
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(2-ethoxyethyl)-N-ethyl-6-(ethylaminomethyl)pyridazin-3-amine?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-6-(ethylaminomethyl)pyridazin-3-amine (CID 63691768) is N-(2-ethoxyethyl)-N-ethyl-6-(ethylaminomethyl)pyridazin-3-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-6-(ethylaminomethyl)pyridazin-3-amine?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-6-(ethylaminomethyl)pyridazin-3-amine is CCNCc1ccc(N(CC)CCOCC)nn1.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-6-(ethylaminomethyl)pyridazin-3-amine?
The InChIKey is OGEFHLDFUGVGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-14-11-12-7-8-13(16-15-12)17(5-2)9-10-18-6-3/h7-8,14H,4-6,9-11H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-6-(ethylaminomethyl)pyridazin-3-amine?
N-(2-ethoxyethyl)-N-ethyl-6-(ethylaminomethyl)pyridazin-3-amine has a molecular weight of 252.36 g/mol, XLogP of 1.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-6-(ethylaminomethyl)pyridazin-3-amine is sourced from PubChem (CID 63691768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).