2-cyclohexyl-5-hydroxy-4-methoxypyridazin-3-one

C11H16N2O3 — CID 54694664

IUPAC2-cyclohexyl-5-hydroxy-4-methoxypyridazin-3-one
SMILESCOc1c(O)cnn(C2CCCCC2)c1=O
InChIInChI=1S/C11H16N2O3/c1-16-10-9(14)7-12-13(11(10)15)8-5-3-2-4-6-8/h7-8,14H,2-6H2,1H3
InChIKeyVNAUYQYYJJNORJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.46
Rot. Bonds2

About 2-cyclohexyl-5-hydroxy-4-methoxypyridazin-3-one

2-cyclohexyl-5-hydroxy-4-methoxypyridazin-3-one (PubChem CID 54694664) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-cyclohexyl-5-hydroxy-4-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-cyclohexyl-5-hydroxy-4-methoxypyridazin-3-one
PubChem CID54694664
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-cyclohexyl-5-hydroxy-4-methoxypyridazin-3-one
SMILESCOc1c(O)cnn(C2CCCCC2)c1=O
InChIInChI=1S/C11H16N2O3/c1-16-10-9(14)7-12-13(11(10)15)8-5-3-2-4-6-8/h7-8,14H,2-6H2,1H3
InChIKeyVNAUYQYYJJNORJ-UHFFFAOYSA-N
XLogP1.46
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-hydroxy-4-methoxypyridazin-3-one?
The IUPAC name of 2-cyclohexyl-5-hydroxy-4-methoxypyridazin-3-one (CID 54694664) is 2-cyclohexyl-5-hydroxy-4-methoxypyridazin-3-one.
What is the SMILES notation for 2-cyclohexyl-5-hydroxy-4-methoxypyridazin-3-one?
The canonical SMILES for 2-cyclohexyl-5-hydroxy-4-methoxypyridazin-3-one is COc1c(O)cnn(C2CCCCC2)c1=O.
What is the InChIKey of 2-cyclohexyl-5-hydroxy-4-methoxypyridazin-3-one?
The InChIKey is VNAUYQYYJJNORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-16-10-9(14)7-12-13(11(10)15)8-5-3-2-4-6-8/h7-8,14H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-5-hydroxy-4-methoxypyridazin-3-one?
2-cyclohexyl-5-hydroxy-4-methoxypyridazin-3-one has a molecular weight of 224.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-hydroxy-4-methoxypyridazin-3-one is sourced from PubChem (CID 54694664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).