3-chloro-6-(cyclohexylmethoxy)-4,5-dimethylpyridazine

C13H19ClN2O — CID 63272004

IUPAC3-chloro-6-(cyclohexylmethoxy)-4,5-dimethylpyridazine
SMILESCc1c(Cl)nnc(OCC2CCCCC2)c1C
InChIInChI=1S/C13H19ClN2O/c1-9-10(2)13(16-15-12(9)14)17-8-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3
InChIKeyDGXYNNBDBCHROU-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.71
Rot. Bonds3

About 3-chloro-6-(cyclohexylmethoxy)-4,5-dimethylpyridazine

3-chloro-6-(cyclohexylmethoxy)-4,5-dimethylpyridazine (PubChem CID 63272004) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-chloro-6-(cyclohexylmethoxy)-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-chloro-6-(cyclohexylmethoxy)-4,5-dimethylpyridazine
PubChem CID63272004
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-chloro-6-(cyclohexylmethoxy)-4,5-dimethylpyridazine
SMILESCc1c(Cl)nnc(OCC2CCCCC2)c1C
InChIInChI=1S/C13H19ClN2O/c1-9-10(2)13(16-15-12(9)14)17-8-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3
InChIKeyDGXYNNBDBCHROU-UHFFFAOYSA-N
XLogP3.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(cyclohexylmethoxy)-4,5-dimethylpyridazine?
The IUPAC name of 3-chloro-6-(cyclohexylmethoxy)-4,5-dimethylpyridazine (CID 63272004) is 3-chloro-6-(cyclohexylmethoxy)-4,5-dimethylpyridazine.
What is the SMILES notation for 3-chloro-6-(cyclohexylmethoxy)-4,5-dimethylpyridazine?
The canonical SMILES for 3-chloro-6-(cyclohexylmethoxy)-4,5-dimethylpyridazine is Cc1c(Cl)nnc(OCC2CCCCC2)c1C.
What is the InChIKey of 3-chloro-6-(cyclohexylmethoxy)-4,5-dimethylpyridazine?
The InChIKey is DGXYNNBDBCHROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9-10(2)13(16-15-12(9)14)17-8-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3.
What are the key properties of 3-chloro-6-(cyclohexylmethoxy)-4,5-dimethylpyridazine?
3-chloro-6-(cyclohexylmethoxy)-4,5-dimethylpyridazine has a molecular weight of 254.76 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(cyclohexylmethoxy)-4,5-dimethylpyridazine is sourced from PubChem (CID 63272004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).