3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione

C12H16N4O2 — CID 177356085

IUPAC3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione
SMILESCC(C)c1ccc(NC2CCC(=O)NC2=O)nn1
InChIInChI=1S/C12H16N4O2/c1-7(2)8-3-5-10(16-15-8)13-9-4-6-11(17)14-12(9)18/h3,5,7,9H,4,6H2,1-2H3,(H,13,16)(H,14,17,18)
InChIKeyALDQZJKFCKMKDL-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.82
Rot. Bonds3

About 3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione

3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione (PubChem CID 177356085) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione
PubChem CID177356085
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione
SMILESCC(C)c1ccc(NC2CCC(=O)NC2=O)nn1
InChIInChI=1S/C12H16N4O2/c1-7(2)8-3-5-10(16-15-8)13-9-4-6-11(17)14-12(9)18/h3,5,7,9H,4,6H2,1-2H3,(H,13,16)(H,14,17,18)
InChIKeyALDQZJKFCKMKDL-UHFFFAOYSA-N
XLogP0.82
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione with MolForge

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Related Compounds

ethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione
CID 170749748
3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione
CID 164720806
3-[(1-propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione
CID 164719881
ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749152
molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 169188670
ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749603
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione
CID 80941106
3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione
CID 66284011
3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]piperidine-2,6-dione
CID 80938018
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80941192
3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione
CID 170953285
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80855840

Frequently Asked Questions

What is the IUPAC name of 3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione (CID 177356085) is 3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione is CC(C)c1ccc(NC2CCC(=O)NC2=O)nn1.
What is the InChIKey of 3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione?
The InChIKey is ALDQZJKFCKMKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7(2)8-3-5-10(16-15-8)13-9-4-6-11(17)14-12(9)18/h3,5,7,9H,4,6H2,1-2H3,(H,13,16)(H,14,17,18).
What are the key properties of 3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione?
3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione has a molecular weight of 248.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 177356085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).