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

C10H17N3O2 — CID 62924969

IUPAC2-[2-(2-methoxyethylamino)ethyl]-6-methylpyridazin-3-one
SMILESCOCCNCCn1nc(C)ccc1=O
InChIInChI=1S/C10H17N3O2/c1-9-3-4-10(14)13(12-9)7-5-11-6-8-15-2/h3-4,11H,5-8H2,1-2H3
InChIKeyNYVVYVMOVZUHIE-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.21
Rot. Bonds6

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

2-[2-(2-methoxyethylamino)ethyl]-6-methylpyridazin-3-one (PubChem CID 62924969) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[2-(2-methoxyethylamino)ethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-methoxyethylamino)ethyl]-6-methylpyridazin-3-one
PubChem CID62924969
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[2-(2-methoxyethylamino)ethyl]-6-methylpyridazin-3-one
SMILESCOCCNCCn1nc(C)ccc1=O
InChIInChI=1S/C10H17N3O2/c1-9-3-4-10(14)13(12-9)7-5-11-6-8-15-2/h3-4,11H,5-8H2,1-2H3
InChIKeyNYVVYVMOVZUHIE-UHFFFAOYSA-N
XLogP-0.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.21
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-(2-methoxyethylamino)ethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-(2-methoxyethylamino)ethyl]-6-methylpyridazin-3-one (CID 62924969) is 2-[2-(2-methoxyethylamino)ethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(2-methoxyethylamino)ethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(2-methoxyethylamino)ethyl]-6-methylpyridazin-3-one is COCCNCCn1nc(C)ccc1=O.
What is the InChIKey of 2-[2-(2-methoxyethylamino)ethyl]-6-methylpyridazin-3-one?
The InChIKey is NYVVYVMOVZUHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-9-3-4-10(14)13(12-9)7-5-11-6-8-15-2/h3-4,11H,5-8H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethylamino)ethyl]-6-methylpyridazin-3-one?
2-[2-(2-methoxyethylamino)ethyl]-6-methylpyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of -0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethylamino)ethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 62924969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).