2-(3-oxobutyl)-1H-pyridazine-3,6-dione

C8H10N2O3 — CID 587202

IUPAC2-(3-oxobutyl)-1H-pyridazine-3,6-dione
SMILESCC(=O)CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H10N2O3/c1-6(11)4-5-10-8(13)3-2-7(12)9-10/h2-3H,4-5H2,1H3,(H,9,12)
InChIKeyXSZIAVBBNVOJRF-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.48
Rot. Bonds3

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

2-(3-oxobutyl)-1H-pyridazine-3,6-dione (PubChem CID 587202) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(3-oxobutyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(3-oxobutyl)-1H-pyridazine-3,6-dione
PubChem CID587202
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(3-oxobutyl)-1H-pyridazine-3,6-dione
SMILESCC(=O)CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H10N2O3/c1-6(11)4-5-10-8(13)3-2-7(12)9-10/h2-3H,4-5H2,1H3,(H,9,12)
InChIKeyXSZIAVBBNVOJRF-UHFFFAOYSA-N
XLogP-0.48
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-oxobutyl)-1H-pyridazine-3,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Butyl-1,2-dihydro-3,6-pyridazinedione
CID 246498
2-(2-Carbamoylethyl)-2,3-dihydro-6-hydroxy-3-oxopyridazine
CID 597095
2-ethyl-1H-pyridazine-3,6-dione
CID 12289925
2-(2-oxopropyl)-1H-pyridazine-3,6-dione
CID 58815500
2-pentyl-1H-pyridazine-3,6-dione
CID 70599423
2-(2-methylpropyl)-1H-pyridazine-3,6-dione
CID 138715279
3-(3,6-dioxo-1H-pyridazin-2-yl)-N',N'-dimethylpropanehydrazide
CID 9179928
2-(4-aminobutyl)-1H-pyridazine-3,6-dione
CID 20114400
2-propyl-1H-pyridazine-3,6-dione
CID 39848286
N-(2-cyanoethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide
CID 43214064
1-(2-Methylprop-2-enyl)-1,2-dihydropyridazine-3,6-dione
CID 46299433
3-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide
CID 60651180

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxobutyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(3-oxobutyl)-1H-pyridazine-3,6-dione (CID 587202) is 2-(3-oxobutyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(3-oxobutyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(3-oxobutyl)-1H-pyridazine-3,6-dione is CC(=O)CCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3-oxobutyl)-1H-pyridazine-3,6-dione?
The InChIKey is XSZIAVBBNVOJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-6(11)4-5-10-8(13)3-2-7(12)9-10/h2-3H,4-5H2,1H3,(H,9,12).
What are the key properties of 2-(3-oxobutyl)-1H-pyridazine-3,6-dione?
2-(3-oxobutyl)-1H-pyridazine-3,6-dione has a molecular weight of 182.18 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxobutyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 587202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).