2-[2-(3-ethoxypropylamino)ethyl]-6-methylpyridazin-3-one

C12H21N3O2 — CID 55155495

IUPAC2-[2-(3-ethoxypropylamino)ethyl]-6-methylpyridazin-3-one
SMILESCCOCCCNCCn1nc(C)ccc1=O
InChIInChI=1S/C12H21N3O2/c1-3-17-10-4-7-13-8-9-15-12(16)6-5-11(2)14-15/h5-6,13H,3-4,7-10H2,1-2H3
InChIKeyCMMCGDPSSFLGGH-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.57
Rot. Bonds8

About 2-[2-(3-ethoxypropylamino)ethyl]-6-methylpyridazin-3-one

2-[2-(3-ethoxypropylamino)ethyl]-6-methylpyridazin-3-one (PubChem CID 55155495) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[2-(3-ethoxypropylamino)ethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(3-ethoxypropylamino)ethyl]-6-methylpyridazin-3-one
PubChem CID55155495
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[2-(3-ethoxypropylamino)ethyl]-6-methylpyridazin-3-one
SMILESCCOCCCNCCn1nc(C)ccc1=O
InChIInChI=1S/C12H21N3O2/c1-3-17-10-4-7-13-8-9-15-12(16)6-5-11(2)14-15/h5-6,13H,3-4,7-10H2,1-2H3
InChIKeyCMMCGDPSSFLGGH-UHFFFAOYSA-N
XLogP0.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.57
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-[2-(3-ethoxypropylamino)ethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-(3-ethoxypropylamino)ethyl]-6-methylpyridazin-3-one (CID 55155495) is 2-[2-(3-ethoxypropylamino)ethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(3-ethoxypropylamino)ethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(3-ethoxypropylamino)ethyl]-6-methylpyridazin-3-one is CCOCCCNCCn1nc(C)ccc1=O.
What is the InChIKey of 2-[2-(3-ethoxypropylamino)ethyl]-6-methylpyridazin-3-one?
The InChIKey is CMMCGDPSSFLGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-17-10-4-7-13-8-9-15-12(16)6-5-11(2)14-15/h5-6,13H,3-4,7-10H2,1-2H3.
What are the key properties of 2-[2-(3-ethoxypropylamino)ethyl]-6-methylpyridazin-3-one?
2-[2-(3-ethoxypropylamino)ethyl]-6-methylpyridazin-3-one has a molecular weight of 239.32 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethoxypropylamino)ethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 55155495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).