6-(2-methoxyethylamino)-2-propan-2-ylpyridazin-3-one

C10H17N3O2 — CID 138467611

IUPAC6-(2-methoxyethylamino)-2-propan-2-ylpyridazin-3-one
SMILESCOCCNc1ccc(=O)n(C(C)C)n1
InChIInChI=1S/C10H17N3O2/c1-8(2)13-10(14)5-4-9(12-13)11-6-7-15-3/h4-5,8H,6-7H2,1-3H3,(H,11,12)
InChIKeyJFNJWINJSNZKDD-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.88
Rot. Bonds5

About 6-(2-methoxyethylamino)-2-propan-2-ylpyridazin-3-one

6-(2-methoxyethylamino)-2-propan-2-ylpyridazin-3-one (PubChem CID 138467611) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 6-(2-methoxyethylamino)-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-(2-methoxyethylamino)-2-propan-2-ylpyridazin-3-one
PubChem CID138467611
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name6-(2-methoxyethylamino)-2-propan-2-ylpyridazin-3-one
SMILESCOCCNc1ccc(=O)n(C(C)C)n1
InChIInChI=1S/C10H17N3O2/c1-8(2)13-10(14)5-4-9(12-13)11-6-7-15-3/h4-5,8H,6-7H2,1-3H3,(H,11,12)
InChIKeyJFNJWINJSNZKDD-UHFFFAOYSA-N
XLogP0.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.88
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 6-(2-methoxyethylamino)-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-(2-methoxyethylamino)-2-propan-2-ylpyridazin-3-one (CID 138467611) is 6-(2-methoxyethylamino)-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-(2-methoxyethylamino)-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-(2-methoxyethylamino)-2-propan-2-ylpyridazin-3-one is COCCNc1ccc(=O)n(C(C)C)n1.
What is the InChIKey of 6-(2-methoxyethylamino)-2-propan-2-ylpyridazin-3-one?
The InChIKey is JFNJWINJSNZKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(2)13-10(14)5-4-9(12-13)11-6-7-15-3/h4-5,8H,6-7H2,1-3H3,(H,11,12).
What are the key properties of 6-(2-methoxyethylamino)-2-propan-2-ylpyridazin-3-one?
6-(2-methoxyethylamino)-2-propan-2-ylpyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylamino)-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 138467611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).