2-cyclohexyl-1H-pyridazine-3,6-dione

C10H14N2O2 — CID 71385091

IUPAC2-cyclohexyl-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(C2CCCCC2)[nH]1
InChIInChI=1S/C10H14N2O2/c13-9-6-7-10(14)12(11-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,13)
InChIKeyZJVUUWUZRNHPCW-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.04
Rot. Bonds1

About 2-cyclohexyl-1H-pyridazine-3,6-dione

2-cyclohexyl-1H-pyridazine-3,6-dione (PubChem CID 71385091) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-cyclohexyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-cyclohexyl-1H-pyridazine-3,6-dione
PubChem CID71385091
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-cyclohexyl-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(C2CCCCC2)[nH]1
InChIInChI=1S/C10H14N2O2/c13-9-6-7-10(14)12(11-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,13)
InChIKeyZJVUUWUZRNHPCW-UHFFFAOYSA-N
XLogP1.04
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Butyl-1,2-dihydro-3,6-pyridazinedione
CID 246498
Cyclohexylammonium-3,6-pyridazinediolate
CID 6453611
2-pentyl-1H-pyridazine-3,6-dione
CID 70599423
1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one
CID 141154511
N-cyclohexylprop-2-enehydrazide
CID 145662036
1-(Cyclohexylamino)pyrrole-2,5-dione
CID 153254283
1-(2-Amino-1-methylbutyl)-1,2-dihydro-3,6-pyridazinedione
CID 16782849
2-(4-aminobutyl)-1H-pyridazine-3,6-dione
CID 20114400
2-(1-aminopentan-3-yl)-1H-pyridazine-3,6-dione
CID 43428362
2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione
CID 43428552
N-cyclohexyl-2-(3,6-dioxo-1,2,3,6-tetrahydropyridazin-1-yl)acetamide
CID 60635049
5-(3,6-dioxo-1H-pyridazin-2-yl)pentanenitrile
CID 61521443

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-cyclohexyl-1H-pyridazine-3,6-dione (CID 71385091) is 2-cyclohexyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-cyclohexyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-cyclohexyl-1H-pyridazine-3,6-dione is O=c1ccc(=O)n(C2CCCCC2)[nH]1.
What is the InChIKey of 2-cyclohexyl-1H-pyridazine-3,6-dione?
The InChIKey is ZJVUUWUZRNHPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9-6-7-10(14)12(11-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,13).
What are the key properties of 2-cyclohexyl-1H-pyridazine-3,6-dione?
2-cyclohexyl-1H-pyridazine-3,6-dione has a molecular weight of 194.23 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 71385091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).