2-[3-(2-methoxyethylamino)propyl]-5-methylpyridazin-3-one

C11H19N3O2 — CID 106548548

IUPAC2-[3-(2-methoxyethylamino)propyl]-5-methylpyridazin-3-one
SMILESCOCCNCCCn1ncc(C)cc1=O
InChIInChI=1S/C11H19N3O2/c1-10-8-11(15)14(13-9-10)6-3-4-12-5-7-16-2/h8-9,12H,3-7H2,1-2H3
InChIKeyJPFCTJFLOGWQTQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.18
Rot. Bonds7

About 2-[3-(2-methoxyethylamino)propyl]-5-methylpyridazin-3-one

2-[3-(2-methoxyethylamino)propyl]-5-methylpyridazin-3-one (PubChem CID 106548548) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[3-(2-methoxyethylamino)propyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[3-(2-methoxyethylamino)propyl]-5-methylpyridazin-3-one
PubChem CID106548548
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[3-(2-methoxyethylamino)propyl]-5-methylpyridazin-3-one
SMILESCOCCNCCCn1ncc(C)cc1=O
InChIInChI=1S/C11H19N3O2/c1-10-8-11(15)14(13-9-10)6-3-4-12-5-7-16-2/h8-9,12H,3-7H2,1-2H3
InChIKeyJPFCTJFLOGWQTQ-UHFFFAOYSA-N
XLogP0.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.18
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 2-[3-(2-methoxyethylamino)propyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[3-(2-methoxyethylamino)propyl]-5-methylpyridazin-3-one (CID 106548548) is 2-[3-(2-methoxyethylamino)propyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[3-(2-methoxyethylamino)propyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[3-(2-methoxyethylamino)propyl]-5-methylpyridazin-3-one is COCCNCCCn1ncc(C)cc1=O.
What is the InChIKey of 2-[3-(2-methoxyethylamino)propyl]-5-methylpyridazin-3-one?
The InChIKey is JPFCTJFLOGWQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-10-8-11(15)14(13-9-10)6-3-4-12-5-7-16-2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 2-[3-(2-methoxyethylamino)propyl]-5-methylpyridazin-3-one?
2-[3-(2-methoxyethylamino)propyl]-5-methylpyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethylamino)propyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).