6-cyclohexyl-1,2-dihydropyridazine-3,4-dione

C10H14N2O2 — CID 71655535

IUPAC6-cyclohexyl-1,2-dihydropyridazine-3,4-dione
SMILESO=c1cc(C2CCCCC2)[nH][nH]c1=O
InChIInChI=1S/C10H14N2O2/c13-9-6-8(11-12-10(9)14)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,13)(H,12,14)
InChIKeyVVTXBSWKKUAAHP-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.11
Rot. Bonds1

About 6-cyclohexyl-1,2-dihydropyridazine-3,4-dione

6-cyclohexyl-1,2-dihydropyridazine-3,4-dione (PubChem CID 71655535) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6-cyclohexyl-1,2-dihydropyridazine-3,4-dione.

Molecular Properties

Compound Name6-cyclohexyl-1,2-dihydropyridazine-3,4-dione
PubChem CID71655535
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name6-cyclohexyl-1,2-dihydropyridazine-3,4-dione
SMILESO=c1cc(C2CCCCC2)[nH][nH]c1=O
InChIInChI=1S/C10H14N2O2/c13-9-6-8(11-12-10(9)14)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,13)(H,12,14)
InChIKeyVVTXBSWKKUAAHP-UHFFFAOYSA-N
XLogP1.11
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.11
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-cyclohexyl-1,2-dihydropyridazine-3,4-dione?
The IUPAC name of 6-cyclohexyl-1,2-dihydropyridazine-3,4-dione (CID 71655535) is 6-cyclohexyl-1,2-dihydropyridazine-3,4-dione.
What is the SMILES notation for 6-cyclohexyl-1,2-dihydropyridazine-3,4-dione?
The canonical SMILES for 6-cyclohexyl-1,2-dihydropyridazine-3,4-dione is O=c1cc(C2CCCCC2)[nH][nH]c1=O.
What is the InChIKey of 6-cyclohexyl-1,2-dihydropyridazine-3,4-dione?
The InChIKey is VVTXBSWKKUAAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9-6-8(11-12-10(9)14)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,13)(H,12,14).
What are the key properties of 6-cyclohexyl-1,2-dihydropyridazine-3,4-dione?
6-cyclohexyl-1,2-dihydropyridazine-3,4-dione has a molecular weight of 194.23 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1,2-dihydropyridazine-3,4-dione is sourced from PubChem (CID 71655535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).