bis(2-hydroxyethyl)azanium;6-oxo-2,3-dihydro-1H-pyridazin-3-olate

C8H17N3O4 — CID 20849354

IUPACbis(2-hydroxyethyl)azanium;6-oxo-2,3-dihydro-1H-pyridazin-3-olate
SMILESO=C1C=CC([O-])NN1.OCC[NH2+]CCO
InChIInChI=1S/C4H5N2O2.C4H11NO2/c7-3-1-2-4(8)6-5-3;6-3-1-5-2-4-7/h1-3,5H,(H,6,8);5-7H,1-4H2/q-1;/p+1
InChIKeyJHGNWZKPQXWUIE-UHFFFAOYSA-O
MW219.24 g/mol
LogP-4.60
Rot. Bonds4

About bis(2-hydroxyethyl)azanium;6-oxo-2,3-dihydro-1H-pyridazin-3-olate

bis(2-hydroxyethyl)azanium;6-oxo-2,3-dihydro-1H-pyridazin-3-olate (PubChem CID 20849354) has the molecular formula C8H17N3O4 and a molecular weight of 219.24 g/mol. Its IUPAC name is bis(2-hydroxyethyl)azanium;6-oxo-2,3-dihydro-1H-pyridazin-3-olate.

Molecular Properties

Compound Namebis(2-hydroxyethyl)azanium;6-oxo-2,3-dihydro-1H-pyridazin-3-olate
PubChem CID20849354
Molecular FormulaC8H17N3O4
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Namebis(2-hydroxyethyl)azanium;6-oxo-2,3-dihydro-1H-pyridazin-3-olate
SMILESO=C1C=CC([O-])NN1.OCC[NH2+]CCO
InChIInChI=1S/C4H5N2O2.C4H11NO2/c7-3-1-2-4(8)6-5-3;6-3-1-5-2-4-7/h1-3,5H,(H,6,8);5-7H,1-4H2/q-1;/p+1
InChIKeyJHGNWZKPQXWUIE-UHFFFAOYSA-O
XLogP-4.60
TPSA121.26 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-4.60
H-Bond Donors ≤ 55
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 bis(2-hydroxyethyl)azanium;6-oxo-2,3-dihydro-1H-pyridazin-3-olate?
The IUPAC name of bis(2-hydroxyethyl)azanium;6-oxo-2,3-dihydro-1H-pyridazin-3-olate (CID 20849354) is bis(2-hydroxyethyl)azanium;6-oxo-2,3-dihydro-1H-pyridazin-3-olate.
What is the SMILES notation for bis(2-hydroxyethyl)azanium;6-oxo-2,3-dihydro-1H-pyridazin-3-olate?
The canonical SMILES for bis(2-hydroxyethyl)azanium;6-oxo-2,3-dihydro-1H-pyridazin-3-olate is O=C1C=CC([O-])NN1.OCC[NH2+]CCO.
What is the InChIKey of bis(2-hydroxyethyl)azanium;6-oxo-2,3-dihydro-1H-pyridazin-3-olate?
The InChIKey is JHGNWZKPQXWUIE-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H5N2O2.C4H11NO2/c7-3-1-2-4(8)6-5-3;6-3-1-5-2-4-7/h1-3,5H,(H,6,8);5-7H,1-4H2/q-1;/p+1.
What are the key properties of bis(2-hydroxyethyl)azanium;6-oxo-2,3-dihydro-1H-pyridazin-3-olate?
bis(2-hydroxyethyl)azanium;6-oxo-2,3-dihydro-1H-pyridazin-3-olate has a molecular weight of 219.24 g/mol, XLogP of -4.60, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)azanium;6-oxo-2,3-dihydro-1H-pyridazin-3-olate is sourced from PubChem (CID 20849354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).