2-(3-ethoxypropyl)-5-(methylamino)pyridazin-3-one

C10H17N3O2 — CID 103218802

IUPAC2-(3-ethoxypropyl)-5-(methylamino)pyridazin-3-one
SMILESCCOCCCn1ncc(NC)cc1=O
InChIInChI=1S/C10H17N3O2/c1-3-15-6-4-5-13-10(14)7-9(11-2)8-12-13/h7-8,11H,3-6H2,1-2H3
InChIKeyPEABUZCYFSOBCR-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.71
Rot. Bonds6

About 2-(3-ethoxypropyl)-5-(methylamino)pyridazin-3-one

2-(3-ethoxypropyl)-5-(methylamino)pyridazin-3-one (PubChem CID 103218802) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-5-(methylamino)pyridazin-3-one
PubChem CID103218802
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(3-ethoxypropyl)-5-(methylamino)pyridazin-3-one
SMILESCCOCCCn1ncc(NC)cc1=O
InChIInChI=1S/C10H17N3O2/c1-3-15-6-4-5-13-10(14)7-9(11-2)8-12-13/h7-8,11H,3-6H2,1-2H3
InChIKeyPEABUZCYFSOBCR-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
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-ethoxypropyl)-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-(3-ethoxypropyl)-5-(methylamino)pyridazin-3-one (CID 103218802) is 2-(3-ethoxypropyl)-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3-ethoxypropyl)-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-(3-ethoxypropyl)-5-(methylamino)pyridazin-3-one is CCOCCCn1ncc(NC)cc1=O.
What is the InChIKey of 2-(3-ethoxypropyl)-5-(methylamino)pyridazin-3-one?
The InChIKey is PEABUZCYFSOBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-15-6-4-5-13-10(14)7-9(11-2)8-12-13/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-(3-ethoxypropyl)-5-(methylamino)pyridazin-3-one?
2-(3-ethoxypropyl)-5-(methylamino)pyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).