2-(4-hydroxybutyl)-1H-pyridazine-3,6-dione

C8H12N2O3 — CID 10261794

IUPAC2-(4-hydroxybutyl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CCCCO)[nH]1
InChIInChI=1S/C8H12N2O3/c11-6-2-1-5-10-8(13)4-3-7(12)9-10/h3-4,11H,1-2,5-6H2,(H,9,12)
InChIKeyGUXDACVOTAIYCO-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.69
Rot. Bonds4

About 2-(4-hydroxybutyl)-1H-pyridazine-3,6-dione

2-(4-hydroxybutyl)-1H-pyridazine-3,6-dione (PubChem CID 10261794) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(4-hydroxybutyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(4-hydroxybutyl)-1H-pyridazine-3,6-dione
PubChem CID10261794
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(4-hydroxybutyl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CCCCO)[nH]1
InChIInChI=1S/C8H12N2O3/c11-6-2-1-5-10-8(13)4-3-7(12)9-10/h3-4,11H,1-2,5-6H2,(H,9,12)
InChIKeyGUXDACVOTAIYCO-UHFFFAOYSA-N
XLogP-0.69
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(4-hydroxybutyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(4-hydroxybutyl)-1H-pyridazine-3,6-dione (CID 10261794) is 2-(4-hydroxybutyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(4-hydroxybutyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(4-hydroxybutyl)-1H-pyridazine-3,6-dione is O=c1ccc(=O)n(CCCCO)[nH]1.
What is the InChIKey of 2-(4-hydroxybutyl)-1H-pyridazine-3,6-dione?
The InChIKey is GUXDACVOTAIYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-6-2-1-5-10-8(13)4-3-7(12)9-10/h3-4,11H,1-2,5-6H2,(H,9,12).
What are the key properties of 2-(4-hydroxybutyl)-1H-pyridazine-3,6-dione?
2-(4-hydroxybutyl)-1H-pyridazine-3,6-dione has a molecular weight of 184.19 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 10261794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).