1,2-dihydropyridazine-3,6-dione;2-(2-hydroxyethylamino)ethanol

C8H15N3O4 — CID 21953

IUPAC1,2-dihydropyridazine-3,6-dione;2-(2-hydroxyethylamino)ethanol
SMILESO=c1ccc(=O)[nH][nH]1.OCCNCCO
InChIInChI=1S/C4H4N2O2.C4H11NO2/c7-3-1-2-4(8)6-5-3;6-3-1-5-2-4-7/h1-2H,(H,5,7)(H,6,8);5-7H,1-4H2
InChIKeyJRIDWRXQHJJLPL-UHFFFAOYSA-N
MW217.22 g/mol
LogP-2.38
Rot. Bonds4

About 1,2-dihydropyridazine-3,6-dione;2-(2-hydroxyethylamino)ethanol

1,2-dihydropyridazine-3,6-dione;2-(2-hydroxyethylamino)ethanol (PubChem CID 21953) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1,2-dihydropyridazine-3,6-dione;2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name1,2-dihydropyridazine-3,6-dione;2-(2-hydroxyethylamino)ethanol
PubChem CID21953
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name1,2-dihydropyridazine-3,6-dione;2-(2-hydroxyethylamino)ethanol
SMILESO=c1ccc(=O)[nH][nH]1.OCCNCCO
InChIInChI=1S/C4H4N2O2.C4H11NO2/c7-3-1-2-4(8)6-5-3;6-3-1-5-2-4-7/h1-2H,(H,5,7)(H,6,8);5-7H,1-4H2
InChIKeyJRIDWRXQHJJLPL-UHFFFAOYSA-N
XLogP-2.38
TPSA118.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-2.38
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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Related Compounds

6-Hydroxy-2-(2-hydroxyethyl)-2,3-dihydropyridazin-3-one
CID 228461
Maleic hydrazide monoethanolamine
CID 6451887
1,2-Dihydropyridazine-3,6-dione;2-hydroxyethyl(trimethyl)azanium
CID 3045805
(Z)-but-2-enedihydrazide;2-hydroxyethyl(trimethyl)azanium
CID 21152151
(Z)-but-2-enedihydrazide;2-(2-hydroxyethylamino)ethanol
CID 23618454
N',N'-bis(2-hydroxyethyl)prop-2-enehydrazide
CID 87129922
2-[2-[(Z)-but-2-enoyl]hydrazinyl]-N-(2-hydroxyethyl)-2-oxoacetamide
CID 145667823
(Z)-4-hydrazinyl-4-oxobut-2-enoic acid;2-(2-hydroxyethylamino)ethanol
CID 160618683
2-(2-Hydroxyethyl)-1,3-dihydropyridazin-6-one
CID 173040073
4-Hydrazinyl-4-oxobut-2-enoic acid;2-(2-hydroxyethylamino)ethanol
CID 173409426
bis(2-hydroxyethyl)azanium;6-oxo-2,3-dihydro-1H-pyridazin-3-olate
CID 20849354
2-[3-(ethylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione
CID 43165958

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridazine-3,6-dione;2-(2-hydroxyethylamino)ethanol?
The IUPAC name of 1,2-dihydropyridazine-3,6-dione;2-(2-hydroxyethylamino)ethanol (CID 21953) is 1,2-dihydropyridazine-3,6-dione;2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for 1,2-dihydropyridazine-3,6-dione;2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for 1,2-dihydropyridazine-3,6-dione;2-(2-hydroxyethylamino)ethanol is O=c1ccc(=O)[nH][nH]1.OCCNCCO.
What is the InChIKey of 1,2-dihydropyridazine-3,6-dione;2-(2-hydroxyethylamino)ethanol?
The InChIKey is JRIDWRXQHJJLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.C4H11NO2/c7-3-1-2-4(8)6-5-3;6-3-1-5-2-4-7/h1-2H,(H,5,7)(H,6,8);5-7H,1-4H2.
What are the key properties of 1,2-dihydropyridazine-3,6-dione;2-(2-hydroxyethylamino)ethanol?
1,2-dihydropyridazine-3,6-dione;2-(2-hydroxyethylamino)ethanol has a molecular weight of 217.22 g/mol, XLogP of -2.38, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridazine-3,6-dione;2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 21953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).