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

C11H15BrN2O2 — CID 102534188

IUPAC4-bromo-2-cyclohexyl-5-methoxypyridazin-3-one
SMILESCOc1cnn(C2CCCCC2)c(=O)c1Br
InChIInChI=1S/C11H15BrN2O2/c1-16-9-7-13-14(11(15)10(9)12)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyYWAALFMDYVGHAI-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.52
Rot. Bonds2

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

4-bromo-2-cyclohexyl-5-methoxypyridazin-3-one (PubChem CID 102534188) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-bromo-2-cyclohexyl-5-methoxypyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-cyclohexyl-5-methoxypyridazin-3-one
PubChem CID102534188
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name4-bromo-2-cyclohexyl-5-methoxypyridazin-3-one
SMILESCOc1cnn(C2CCCCC2)c(=O)c1Br
InChIInChI=1S/C11H15BrN2O2/c1-16-9-7-13-14(11(15)10(9)12)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyYWAALFMDYVGHAI-UHFFFAOYSA-N
XLogP2.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid
CID 117233148
4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one
CID 86335249
4,5-dichloro-2-cyclooctylpyridazin-3-one;methane
CID 173110964
4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one
CID 10610335
4-chloro-2-cyclohexyl-5-sulfanylpyridazin-3-one
CID 22358118
4,5-dibromo-1-cyclopentylpyrazole
CID 115053117
4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one
CID 1487494
2-cyclohexyl-5-methoxy-1H-pyridazine-3,4-dione
CID 767637
4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane
CID 143487583
1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid
CID 117233178
2-cycloheptyl-5-iodopyridazin-3-one
CID 114553728
1-cyclopentyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632536

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclohexyl-5-methoxypyridazin-3-one?
The IUPAC name of 4-bromo-2-cyclohexyl-5-methoxypyridazin-3-one (CID 102534188) is 4-bromo-2-cyclohexyl-5-methoxypyridazin-3-one.
What is the SMILES notation for 4-bromo-2-cyclohexyl-5-methoxypyridazin-3-one?
The canonical SMILES for 4-bromo-2-cyclohexyl-5-methoxypyridazin-3-one is COc1cnn(C2CCCCC2)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-cyclohexyl-5-methoxypyridazin-3-one?
The InChIKey is YWAALFMDYVGHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-16-9-7-13-14(11(15)10(9)12)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3.
What are the key properties of 4-bromo-2-cyclohexyl-5-methoxypyridazin-3-one?
4-bromo-2-cyclohexyl-5-methoxypyridazin-3-one has a molecular weight of 287.16 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyclohexyl-5-methoxypyridazin-3-one is sourced from PubChem (CID 102534188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).