3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine

C12H17ClN2O2 — CID 63271994

IUPAC3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine
SMILESCc1c(Cl)nnc(OCC2CCCCO2)c1C
InChIInChI=1S/C12H17ClN2O2/c1-8-9(2)12(15-14-11(8)13)17-7-10-5-3-4-6-16-10/h10H,3-7H2,1-2H3
InChIKeyLHRKFHLLFDSGEA-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.69
Rot. Bonds3

About 3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine

3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine (PubChem CID 63271994) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine.

Molecular Properties

Compound Name3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine
PubChem CID63271994
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine
SMILESCc1c(Cl)nnc(OCC2CCCCO2)c1C
InChIInChI=1S/C12H17ClN2O2/c1-8-9(2)12(15-14-11(8)13)17-7-10-5-3-4-6-16-10/h10H,3-7H2,1-2H3
InChIKeyLHRKFHLLFDSGEA-UHFFFAOYSA-N
XLogP2.69
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4,5-dimethyl-6-(oxolan-2-ylmethoxy)pyridazine
CID 63271996
4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine
CID 63736573
5-chloro-6-methyl-7-(oxan-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075870
3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine
CID 61258069
3-chloro-6-(oxan-2-ylmethoxy)pyridazine
CID 24688626
2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine
CID 79081513
4-chloro-2-methyl-5-nitro-6-(oxolan-2-ylmethoxy)pyrimidine
CID 130268236
2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62868914
2-methyl-4-(oxolan-2-ylmethoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 143219161
4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole
CID 83152491
2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine
CID 103319749
5-chloro-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
CID 79728314

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine?
The IUPAC name of 3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine (CID 63271994) is 3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine.
What is the SMILES notation for 3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine?
The canonical SMILES for 3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine is Cc1c(Cl)nnc(OCC2CCCCO2)c1C.
What is the InChIKey of 3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine?
The InChIKey is LHRKFHLLFDSGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8-9(2)12(15-14-11(8)13)17-7-10-5-3-4-6-16-10/h10H,3-7H2,1-2H3.
What are the key properties of 3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine?
3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine has a molecular weight of 256.73 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine is sourced from PubChem (CID 63271994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).