6-(2-cyclohexylethyl)pyridazine-3,4-dione

C12H16N2O2 — CID 78059245

IUPAC6-(2-cyclohexylethyl)pyridazine-3,4-dione
SMILESO=C1C=C(CCC2CCCCC2)N=NC1=O
InChIInChI=1S/C12H16N2O2/c15-11-8-10(13-14-12(11)16)7-6-9-4-2-1-3-5-9/h8-9H,1-7H2
InChIKeyKSKDDZJSLOJZEL-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.79
Rot. Bonds3

About 6-(2-cyclohexylethyl)pyridazine-3,4-dione

6-(2-cyclohexylethyl)pyridazine-3,4-dione (PubChem CID 78059245) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-(2-cyclohexylethyl)pyridazine-3,4-dione.

Molecular Properties

Compound Name6-(2-cyclohexylethyl)pyridazine-3,4-dione
PubChem CID78059245
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-(2-cyclohexylethyl)pyridazine-3,4-dione
SMILESO=C1C=C(CCC2CCCCC2)N=NC1=O
InChIInChI=1S/C12H16N2O2/c15-11-8-10(13-14-12(11)16)7-6-9-4-2-1-3-5-9/h8-9H,1-7H2
InChIKeyKSKDDZJSLOJZEL-UHFFFAOYSA-N
XLogP2.79
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)pyridazine-3,4-dione?
The IUPAC name of 6-(2-cyclohexylethyl)pyridazine-3,4-dione (CID 78059245) is 6-(2-cyclohexylethyl)pyridazine-3,4-dione.
What is the SMILES notation for 6-(2-cyclohexylethyl)pyridazine-3,4-dione?
The canonical SMILES for 6-(2-cyclohexylethyl)pyridazine-3,4-dione is O=C1C=C(CCC2CCCCC2)N=NC1=O.
What is the InChIKey of 6-(2-cyclohexylethyl)pyridazine-3,4-dione?
The InChIKey is KSKDDZJSLOJZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11-8-10(13-14-12(11)16)7-6-9-4-2-1-3-5-9/h8-9H,1-7H2.
What are the key properties of 6-(2-cyclohexylethyl)pyridazine-3,4-dione?
6-(2-cyclohexylethyl)pyridazine-3,4-dione has a molecular weight of 220.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexylethyl)pyridazine-3,4-dione is sourced from PubChem (CID 78059245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).