3-(6-propan-2-ylpyridazin-4-yl)piperidine-2,6-dione

C12H15N3O2 — CID 168752475

IUPAC3-(6-propan-2-ylpyridazin-4-yl)piperidine-2,6-dione
SMILESCC(C)c1cc(C2CCC(=O)NC2=O)cnn1
InChIInChI=1S/C12H15N3O2/c1-7(2)10-5-8(6-13-15-10)9-3-4-11(16)14-12(9)17/h5-7,9H,3-4H2,1-2H3,(H,14,16,17)
InChIKeyYSDULIVRUNFJEC-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.12
Rot. Bonds2

About 3-(6-propan-2-ylpyridazin-4-yl)piperidine-2,6-dione

3-(6-propan-2-ylpyridazin-4-yl)piperidine-2,6-dione (PubChem CID 168752475) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(6-propan-2-ylpyridazin-4-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-propan-2-ylpyridazin-4-yl)piperidine-2,6-dione
PubChem CID168752475
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(6-propan-2-ylpyridazin-4-yl)piperidine-2,6-dione
SMILESCC(C)c1cc(C2CCC(=O)NC2=O)cnn1
InChIInChI=1S/C12H15N3O2/c1-7(2)10-5-8(6-13-15-10)9-3-4-11(16)14-12(9)17/h5-7,9H,3-4H2,1-2H3,(H,14,16,17)
InChIKeyYSDULIVRUNFJEC-UHFFFAOYSA-N
XLogP1.12
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methyl-3-pyridinyl)piperidine-2,6-dione
CID 167474889
3-[5-[4-(2-methylpropyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 178116295
1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione
CID 168752423
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione
CID 171565294
3-(6-amino-3-pyridinyl)piperidine-2,6-dione;hydrochloride
CID 166552755
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
3-thieno[2,3-b]pyridin-5-ylpiperidine-2,6-dione
CID 164563335
ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione
CID 177198142
3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione
CID 170184885
3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione
CID 177356085
3-(3-methoxy-5-methylphenyl)piperidine-2,6-dione
CID 176559595

Frequently Asked Questions

What is the IUPAC name of 3-(6-propan-2-ylpyridazin-4-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-propan-2-ylpyridazin-4-yl)piperidine-2,6-dione (CID 168752475) is 3-(6-propan-2-ylpyridazin-4-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-propan-2-ylpyridazin-4-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-propan-2-ylpyridazin-4-yl)piperidine-2,6-dione is CC(C)c1cc(C2CCC(=O)NC2=O)cnn1.
What is the InChIKey of 3-(6-propan-2-ylpyridazin-4-yl)piperidine-2,6-dione?
The InChIKey is YSDULIVRUNFJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7(2)10-5-8(6-13-15-10)9-3-4-11(16)14-12(9)17/h5-7,9H,3-4H2,1-2H3,(H,14,16,17).
What are the key properties of 3-(6-propan-2-ylpyridazin-4-yl)piperidine-2,6-dione?
3-(6-propan-2-ylpyridazin-4-yl)piperidine-2,6-dione has a molecular weight of 233.27 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-propan-2-ylpyridazin-4-yl)piperidine-2,6-dione is sourced from PubChem (CID 168752475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).