5-amino-2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyridazin-3-one

C14H25N3O4 — CID 103218415

IUPAC5-amino-2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyridazin-3-one
SMILESCCCCOCCOCCOCCn1ncc(N)cc1=O
InChIInChI=1S/C14H25N3O4/c1-2-3-5-19-7-9-21-10-8-20-6-4-17-14(18)11-13(15)12-16-17/h11-12H,2-10,15H2,1H3
InChIKeyYTRYKVUOROCKQI-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.68
Rot. Bonds12

About 5-amino-2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyridazin-3-one

5-amino-2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyridazin-3-one (PubChem CID 103218415) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-amino-2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyridazin-3-one
PubChem CID103218415
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name5-amino-2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyridazin-3-one
SMILESCCCCOCCOCCOCCn1ncc(N)cc1=O
InChIInChI=1S/C14H25N3O4/c1-2-3-5-19-7-9-21-10-8-20-6-4-17-14(18)11-13(15)12-16-17/h11-12H,2-10,15H2,1H3
InChIKeyYTRYKVUOROCKQI-UHFFFAOYSA-N
XLogP0.68
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 5-amino-2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyridazin-3-one (CID 103218415) is 5-amino-2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyridazin-3-one is CCCCOCCOCCOCCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyridazin-3-one?
The InChIKey is YTRYKVUOROCKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-2-3-5-19-7-9-21-10-8-20-6-4-17-14(18)11-13(15)12-16-17/h11-12H,2-10,15H2,1H3.
What are the key properties of 5-amino-2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyridazin-3-one?
5-amino-2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyridazin-3-one has a molecular weight of 299.37 g/mol, XLogP of 0.68, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyridazin-3-one is sourced from PubChem (CID 103218415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).