2-(2-ethoxyethyl)-5-hydroxypyridazin-3-one

C8H12N2O3 — CID 57059473

IUPAC2-(2-ethoxyethyl)-5-hydroxypyridazin-3-one
SMILESCCOCCn1ncc(O)cc1=O
InChIInChI=1S/C8H12N2O3/c1-2-13-4-3-10-8(12)5-7(11)6-9-10/h5-6,11H,2-4H2,1H3
InChIKeyAXMMFOLNUQZJQT-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.01
Rot. Bonds4

About 2-(2-ethoxyethyl)-5-hydroxypyridazin-3-one

2-(2-ethoxyethyl)-5-hydroxypyridazin-3-one (PubChem CID 57059473) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-5-hydroxypyridazin-3-one.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-5-hydroxypyridazin-3-one
PubChem CID57059473
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(2-ethoxyethyl)-5-hydroxypyridazin-3-one
SMILESCCOCCn1ncc(O)cc1=O
InChIInChI=1S/C8H12N2O3/c1-2-13-4-3-10-8(12)5-7(11)6-9-10/h5-6,11H,2-4H2,1H3
InChIKeyAXMMFOLNUQZJQT-UHFFFAOYSA-N
XLogP-0.01
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.01
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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Related Compounds

Methyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate
CID 57024554
5-Hydroxy-2-(2-methoxyethyl)pyridazin-3-one
CID 57066440
Ethyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate
CID 57119606
2-(2-methoxy-ethyl)-5-methoxy-2H-pyridazin-3-one
CID 66865610
2-Ethyl-5-methoxy-2,3-dihydropyridazin-3-one
CID 66865616
2-(2-Methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
5-Ethoxy-2-methylpyridazin-3-one
CID 10511059
2-Butyl-4-ethoxy-5-hydroxypyridazin-3(2H)-one
CID 54711970
5-Iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one
CID 103182082
5-(2-Aminoethoxy)-2-(2-hydroxyethyl)pyridazin-3-one
CID 103222659
5-(2-Aminoethoxy)-2-propylpyridazin-3-one
CID 103222684
5-(2-Aminoethoxy)-2-ethylpyridazin-3-one
CID 103222762

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-5-hydroxypyridazin-3-one?
The IUPAC name of 2-(2-ethoxyethyl)-5-hydroxypyridazin-3-one (CID 57059473) is 2-(2-ethoxyethyl)-5-hydroxypyridazin-3-one.
What is the SMILES notation for 2-(2-ethoxyethyl)-5-hydroxypyridazin-3-one?
The canonical SMILES for 2-(2-ethoxyethyl)-5-hydroxypyridazin-3-one is CCOCCn1ncc(O)cc1=O.
What is the InChIKey of 2-(2-ethoxyethyl)-5-hydroxypyridazin-3-one?
The InChIKey is AXMMFOLNUQZJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-13-4-3-10-8(12)5-7(11)6-9-10/h5-6,11H,2-4H2,1H3.
What are the key properties of 2-(2-ethoxyethyl)-5-hydroxypyridazin-3-one?
2-(2-ethoxyethyl)-5-hydroxypyridazin-3-one has a molecular weight of 184.19 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-5-hydroxypyridazin-3-one is sourced from PubChem (CID 57059473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).