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

C11H16N2O2 — CID 71270563

IUPAC6-(cyclohexylmethyl)-1,2-dihydropyridazine-3,4-dione
SMILESO=c1cc(CC2CCCCC2)[nH][nH]c1=O
InChIInChI=1S/C11H16N2O2/c14-10-7-9(12-13-11(10)15)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,12,14)(H,13,15)
InChIKeyMGYRWLUCOHDAFI-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.19
Rot. Bonds2

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

6-(cyclohexylmethyl)-1,2-dihydropyridazine-3,4-dione (PubChem CID 71270563) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-(cyclohexylmethyl)-1,2-dihydropyridazine-3,4-dione.

Molecular Properties

Compound Name6-(cyclohexylmethyl)-1,2-dihydropyridazine-3,4-dione
PubChem CID71270563
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name6-(cyclohexylmethyl)-1,2-dihydropyridazine-3,4-dione
SMILESO=c1cc(CC2CCCCC2)[nH][nH]c1=O
InChIInChI=1S/C11H16N2O2/c14-10-7-9(12-13-11(10)15)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,12,14)(H,13,15)
InChIKeyMGYRWLUCOHDAFI-UHFFFAOYSA-N
XLogP1.19
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.19
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-(cyclohexylmethyl)-1,2-dihydropyridazine-3,4-dione?
The IUPAC name of 6-(cyclohexylmethyl)-1,2-dihydropyridazine-3,4-dione (CID 71270563) is 6-(cyclohexylmethyl)-1,2-dihydropyridazine-3,4-dione.
What is the SMILES notation for 6-(cyclohexylmethyl)-1,2-dihydropyridazine-3,4-dione?
The canonical SMILES for 6-(cyclohexylmethyl)-1,2-dihydropyridazine-3,4-dione is O=c1cc(CC2CCCCC2)[nH][nH]c1=O.
What is the InChIKey of 6-(cyclohexylmethyl)-1,2-dihydropyridazine-3,4-dione?
The InChIKey is MGYRWLUCOHDAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10-7-9(12-13-11(10)15)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,12,14)(H,13,15).
What are the key properties of 6-(cyclohexylmethyl)-1,2-dihydropyridazine-3,4-dione?
6-(cyclohexylmethyl)-1,2-dihydropyridazine-3,4-dione has a molecular weight of 208.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethyl)-1,2-dihydropyridazine-3,4-dione is sourced from PubChem (CID 71270563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).