6-(2-cyclohexylethyl)-1,2-dihydropyridazine-3,4-dione

C12H18N2O2 — CID 71270399

IUPAC6-(2-cyclohexylethyl)-1,2-dihydropyridazine-3,4-dione
SMILESO=c1cc(CCC2CCCCC2)[nH][nH]c1=O
InChIInChI=1S/C12H18N2O2/c15-11-8-10(13-14-12(11)16)7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,13,15)(H,14,16)
InChIKeyXOTMJYKZULIBIT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.58
Rot. Bonds3

About 6-(2-cyclohexylethyl)-1,2-dihydropyridazine-3,4-dione

6-(2-cyclohexylethyl)-1,2-dihydropyridazine-3,4-dione (PubChem CID 71270399) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-(2-cyclohexylethyl)-1,2-dihydropyridazine-3,4-dione.

Molecular Properties

Compound Name6-(2-cyclohexylethyl)-1,2-dihydropyridazine-3,4-dione
PubChem CID71270399
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name6-(2-cyclohexylethyl)-1,2-dihydropyridazine-3,4-dione
SMILESO=c1cc(CCC2CCCCC2)[nH][nH]c1=O
InChIInChI=1S/C12H18N2O2/c15-11-8-10(13-14-12(11)16)7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,13,15)(H,14,16)
InChIKeyXOTMJYKZULIBIT-UHFFFAOYSA-N
XLogP1.58
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclohexylethyl)-1,2-dihydropyridazine-3,4-dione?
The IUPAC name of 6-(2-cyclohexylethyl)-1,2-dihydropyridazine-3,4-dione (CID 71270399) is 6-(2-cyclohexylethyl)-1,2-dihydropyridazine-3,4-dione.
What is the SMILES notation for 6-(2-cyclohexylethyl)-1,2-dihydropyridazine-3,4-dione?
The canonical SMILES for 6-(2-cyclohexylethyl)-1,2-dihydropyridazine-3,4-dione is O=c1cc(CCC2CCCCC2)[nH][nH]c1=O.
What is the InChIKey of 6-(2-cyclohexylethyl)-1,2-dihydropyridazine-3,4-dione?
The InChIKey is XOTMJYKZULIBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-11-8-10(13-14-12(11)16)7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,13,15)(H,14,16).
What are the key properties of 6-(2-cyclohexylethyl)-1,2-dihydropyridazine-3,4-dione?
6-(2-cyclohexylethyl)-1,2-dihydropyridazine-3,4-dione has a molecular weight of 222.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexylethyl)-1,2-dihydropyridazine-3,4-dione is sourced from PubChem (CID 71270399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).