5-amino-2-(2-butoxyethyl)pyridazin-3-one

C10H17N3O2 — CID 103218429

IUPAC5-amino-2-(2-butoxyethyl)pyridazin-3-one
SMILESCCCCOCCn1ncc(N)cc1=O
InChIInChI=1S/C10H17N3O2/c1-2-3-5-15-6-4-13-10(14)7-9(11)8-12-13/h7-8H,2-6,11H2,1H3
InChIKeyCELBRKQMFWYGGK-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.64
Rot. Bonds6

About 5-amino-2-(2-butoxyethyl)pyridazin-3-one

5-amino-2-(2-butoxyethyl)pyridazin-3-one (PubChem CID 103218429) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-amino-2-(2-butoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(2-butoxyethyl)pyridazin-3-one
PubChem CID103218429
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-amino-2-(2-butoxyethyl)pyridazin-3-one
SMILESCCCCOCCn1ncc(N)cc1=O
InChIInChI=1S/C10H17N3O2/c1-2-3-5-15-6-4-13-10(14)7-9(11)8-12-13/h7-8H,2-6,11H2,1H3
InChIKeyCELBRKQMFWYGGK-UHFFFAOYSA-N
XLogP0.64
TPSA70.14 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 ≤ 50.64
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 5-amino-2-(2-butoxyethyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(2-butoxyethyl)pyridazin-3-one (CID 103218429) is 5-amino-2-(2-butoxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(2-butoxyethyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(2-butoxyethyl)pyridazin-3-one is CCCCOCCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-(2-butoxyethyl)pyridazin-3-one?
The InChIKey is CELBRKQMFWYGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-3-5-15-6-4-13-10(14)7-9(11)8-12-13/h7-8H,2-6,11H2,1H3.
What are the key properties of 5-amino-2-(2-butoxyethyl)pyridazin-3-one?
5-amino-2-(2-butoxyethyl)pyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-butoxyethyl)pyridazin-3-one is sourced from PubChem (CID 103218429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).