1-[6-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]-2-methylpropan-1-one

C18H31N3O5 — CID 177358408

IUPAC1-[6-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]-2-methylpropan-1-one
SMILESCCOCCOCCOCCOCCNc1ccc(C(=O)C(C)C)nn1
InChIInChI=1S/C18H31N3O5/c1-4-23-9-10-25-13-14-26-12-11-24-8-7-19-17-6-5-16(20-21-17)18(22)15(2)3/h5-6,15H,4,7-14H2,1-3H3,(H,19,21)
InChIKeyZBOWEEULBGMLEE-UHFFFAOYSA-N
MW369.46 g/mol
LogP1.81
Rot. Bonds16

About 1-[6-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]-2-methylpropan-1-one

1-[6-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]-2-methylpropan-1-one (PubChem CID 177358408) has the molecular formula C18H31N3O5 and a molecular weight of 369.46 g/mol. Its IUPAC name is 1-[6-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[6-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]-2-methylpropan-1-one
PubChem CID177358408
Molecular FormulaC18H31N3O5
Molecular Weight369.46 g/mol
Exact Mass369.23
IUPAC Name1-[6-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]-2-methylpropan-1-one
SMILESCCOCCOCCOCCOCCNc1ccc(C(=O)C(C)C)nn1
InChIInChI=1S/C18H31N3O5/c1-4-23-9-10-25-13-14-26-12-11-24-8-7-19-17-6-5-16(20-21-17)18(22)15(2)3/h5-6,15H,4,7-14H2,1-3H3,(H,19,21)
InChIKeyZBOWEEULBGMLEE-UHFFFAOYSA-N
XLogP1.81
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[6-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207000
methyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate
CID 115586284
1-[6-[2-[2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]propan-1-one
CID 170223156
6-(2-but-3-enoxyethylamino)pyridazine-3-carboxamide
CID 113338947
6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109597
6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide
CID 115669013
6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109113837
6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide
CID 113450833
N-(3-methoxy-2-methylpropyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62174819
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
6-(2-methoxyethylamino)-N,N-dipropylpyridazine-3-carboxamide
CID 109113786
2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate
CID 83203413

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[6-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]-2-methylpropan-1-one (CID 177358408) is 1-[6-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[6-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[6-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]-2-methylpropan-1-one is CCOCCOCCOCCOCCNc1ccc(C(=O)C(C)C)nn1.
What is the InChIKey of 1-[6-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]-2-methylpropan-1-one?
The InChIKey is ZBOWEEULBGMLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O5/c1-4-23-9-10-25-13-14-26-12-11-24-8-7-19-17-6-5-16(20-21-17)18(22)15(2)3/h5-6,15H,4,7-14H2,1-3H3,(H,19,21).
What are the key properties of 1-[6-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]-2-methylpropan-1-one?
1-[6-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]-2-methylpropan-1-one has a molecular weight of 369.46 g/mol, XLogP of 1.81, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]-2-methylpropan-1-one is sourced from PubChem (CID 177358408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).