2-[2-(3-ethoxypropylamino)ethyl]pyridazin-3-one

C11H19N3O2 — CID 62848567

IUPAC2-[2-(3-ethoxypropylamino)ethyl]pyridazin-3-one
SMILESCCOCCCNCCn1ncccc1=O
InChIInChI=1S/C11H19N3O2/c1-2-16-10-4-6-12-8-9-14-11(15)5-3-7-13-14/h3,5,7,12H,2,4,6,8-10H2,1H3
InChIKeyPRKKYICYRILVBO-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.26
Rot. Bonds8

About 2-[2-(3-ethoxypropylamino)ethyl]pyridazin-3-one

2-[2-(3-ethoxypropylamino)ethyl]pyridazin-3-one (PubChem CID 62848567) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[2-(3-ethoxypropylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(3-ethoxypropylamino)ethyl]pyridazin-3-one
PubChem CID62848567
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[2-(3-ethoxypropylamino)ethyl]pyridazin-3-one
SMILESCCOCCCNCCn1ncccc1=O
InChIInChI=1S/C11H19N3O2/c1-2-16-10-4-6-12-8-9-14-11(15)5-3-7-13-14/h3,5,7,12H,2,4,6,8-10H2,1H3
InChIKeyPRKKYICYRILVBO-UHFFFAOYSA-N
XLogP0.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.26
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]pyridazin-3-one?
The IUPAC name of 2-[2-(3-ethoxypropylamino)ethyl]pyridazin-3-one (CID 62848567) is 2-[2-(3-ethoxypropylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(3-ethoxypropylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(3-ethoxypropylamino)ethyl]pyridazin-3-one is CCOCCCNCCn1ncccc1=O.
What is the InChIKey of 2-[2-(3-ethoxypropylamino)ethyl]pyridazin-3-one?
The InChIKey is PRKKYICYRILVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-16-10-4-6-12-8-9-14-11(15)5-3-7-13-14/h3,5,7,12H,2,4,6,8-10H2,1H3.
What are the key properties of 2-[2-(3-ethoxypropylamino)ethyl]pyridazin-3-one?
2-[2-(3-ethoxypropylamino)ethyl]pyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.26, 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]pyridazin-3-one is sourced from PubChem (CID 62848567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).