2-cyclohexyl-5-methoxy-1H-pyridazine-3,4-dione

C11H16N2O3 — CID 767637

IUPAC2-cyclohexyl-5-methoxy-1H-pyridazine-3,4-dione
SMILESCOc1c[nH]n(C2CCCCC2)c(=O)c1=O
InChIInChI=1S/C11H16N2O3/c1-16-9-7-12-13(11(15)10(9)14)8-5-3-2-4-6-8/h7-8,12H,2-6H2,1H3
InChIKeyYMMHJCJJQZFFPK-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.05
Rot. Bonds2

About 2-cyclohexyl-5-methoxy-1H-pyridazine-3,4-dione

2-cyclohexyl-5-methoxy-1H-pyridazine-3,4-dione (PubChem CID 767637) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-cyclohexyl-5-methoxy-1H-pyridazine-3,4-dione.

Molecular Properties

Compound Name2-cyclohexyl-5-methoxy-1H-pyridazine-3,4-dione
PubChem CID767637
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-cyclohexyl-5-methoxy-1H-pyridazine-3,4-dione
SMILESCOc1c[nH]n(C2CCCCC2)c(=O)c1=O
InChIInChI=1S/C11H16N2O3/c1-16-9-7-12-13(11(15)10(9)14)8-5-3-2-4-6-8/h7-8,12H,2-6H2,1H3
InChIKeyYMMHJCJJQZFFPK-UHFFFAOYSA-N
XLogP1.05
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-cyclohexyl-5-methoxy-1H-pyridazine-3,4-dione?
The IUPAC name of 2-cyclohexyl-5-methoxy-1H-pyridazine-3,4-dione (CID 767637) is 2-cyclohexyl-5-methoxy-1H-pyridazine-3,4-dione.
What is the SMILES notation for 2-cyclohexyl-5-methoxy-1H-pyridazine-3,4-dione?
The canonical SMILES for 2-cyclohexyl-5-methoxy-1H-pyridazine-3,4-dione is COc1c[nH]n(C2CCCCC2)c(=O)c1=O.
What is the InChIKey of 2-cyclohexyl-5-methoxy-1H-pyridazine-3,4-dione?
The InChIKey is YMMHJCJJQZFFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-16-9-7-12-13(11(15)10(9)14)8-5-3-2-4-6-8/h7-8,12H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-5-methoxy-1H-pyridazine-3,4-dione?
2-cyclohexyl-5-methoxy-1H-pyridazine-3,4-dione has a molecular weight of 224.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methoxy-1H-pyridazine-3,4-dione is sourced from PubChem (CID 767637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).