2-(4-amino-3-ethoxybutyl)pyridazin-3-one

C10H17N3O2 — CID 63070112

IUPAC2-(4-amino-3-ethoxybutyl)pyridazin-3-one
SMILESCCOC(CN)CCn1ncccc1=O
InChIInChI=1S/C10H17N3O2/c1-2-15-9(8-11)5-7-13-10(14)4-3-6-12-13/h3-4,6,9H,2,5,7-8,11H2,1H3
InChIKeyCVMZMFZSRRTERQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.00
Rot. Bonds6

About 2-(4-amino-3-ethoxybutyl)pyridazin-3-one

2-(4-amino-3-ethoxybutyl)pyridazin-3-one (PubChem CID 63070112) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(4-amino-3-ethoxybutyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-amino-3-ethoxybutyl)pyridazin-3-one
PubChem CID63070112
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(4-amino-3-ethoxybutyl)pyridazin-3-one
SMILESCCOC(CN)CCn1ncccc1=O
InChIInChI=1S/C10H17N3O2/c1-2-15-9(8-11)5-7-13-10(14)4-3-6-12-13/h3-4,6,9H,2,5,7-8,11H2,1H3
InChIKeyCVMZMFZSRRTERQ-UHFFFAOYSA-N
XLogP-0.00
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 ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethoxybutyl)pyridazin-3-one?
The IUPAC name of 2-(4-amino-3-ethoxybutyl)pyridazin-3-one (CID 63070112) is 2-(4-amino-3-ethoxybutyl)pyridazin-3-one.
What is the SMILES notation for 2-(4-amino-3-ethoxybutyl)pyridazin-3-one?
The canonical SMILES for 2-(4-amino-3-ethoxybutyl)pyridazin-3-one is CCOC(CN)CCn1ncccc1=O.
What is the InChIKey of 2-(4-amino-3-ethoxybutyl)pyridazin-3-one?
The InChIKey is CVMZMFZSRRTERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-15-9(8-11)5-7-13-10(14)4-3-6-12-13/h3-4,6,9H,2,5,7-8,11H2,1H3.
What are the key properties of 2-(4-amino-3-ethoxybutyl)pyridazin-3-one?
2-(4-amino-3-ethoxybutyl)pyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of -0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethoxybutyl)pyridazin-3-one is sourced from PubChem (CID 63070112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).