4-chloro-6-cyclohexyl-3-methoxypyridazine

C11H15ClN2O — CID 117107222

IUPAC4-chloro-6-cyclohexyl-3-methoxypyridazine
SMILESCOc1nnc(C2CCCCC2)cc1Cl
InChIInChI=1S/C11H15ClN2O/c1-15-11-9(12)7-10(13-14-11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyUBGFMJNYWUPFQL-UHFFFAOYSA-N
MW226.71 g/mol
LogP3.19
Rot. Bonds2

About 4-chloro-6-cyclohexyl-3-methoxypyridazine

4-chloro-6-cyclohexyl-3-methoxypyridazine (PubChem CID 117107222) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-chloro-6-cyclohexyl-3-methoxypyridazine.

Molecular Properties

Compound Name4-chloro-6-cyclohexyl-3-methoxypyridazine
PubChem CID117107222
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name4-chloro-6-cyclohexyl-3-methoxypyridazine
SMILESCOc1nnc(C2CCCCC2)cc1Cl
InChIInChI=1S/C11H15ClN2O/c1-15-11-9(12)7-10(13-14-11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyUBGFMJNYWUPFQL-UHFFFAOYSA-N
XLogP3.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclohexyl-3-methoxypyridazine?
The IUPAC name of 4-chloro-6-cyclohexyl-3-methoxypyridazine (CID 117107222) is 4-chloro-6-cyclohexyl-3-methoxypyridazine.
What is the SMILES notation for 4-chloro-6-cyclohexyl-3-methoxypyridazine?
The canonical SMILES for 4-chloro-6-cyclohexyl-3-methoxypyridazine is COc1nnc(C2CCCCC2)cc1Cl.
What is the InChIKey of 4-chloro-6-cyclohexyl-3-methoxypyridazine?
The InChIKey is UBGFMJNYWUPFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-15-11-9(12)7-10(13-14-11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3.
What are the key properties of 4-chloro-6-cyclohexyl-3-methoxypyridazine?
4-chloro-6-cyclohexyl-3-methoxypyridazine has a molecular weight of 226.71 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclohexyl-3-methoxypyridazine is sourced from PubChem (CID 117107222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).