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

C11H15ClN2O2 — CID 63271996

IUPAC3-chloro-4,5-dimethyl-6-(oxolan-2-ylmethoxy)pyridazine
SMILESCc1c(Cl)nnc(OCC2CCCO2)c1C
InChIInChI=1S/C11H15ClN2O2/c1-7-8(2)11(14-13-10(7)12)16-6-9-4-3-5-15-9/h9H,3-6H2,1-2H3
InChIKeyNGNGWVCJZQAVJA-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.30
Rot. Bonds3

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

3-chloro-4,5-dimethyl-6-(oxolan-2-ylmethoxy)pyridazine (PubChem CID 63271996) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-chloro-4,5-dimethyl-6-(oxolan-2-ylmethoxy)pyridazine.

Molecular Properties

Compound Name3-chloro-4,5-dimethyl-6-(oxolan-2-ylmethoxy)pyridazine
PubChem CID63271996
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name3-chloro-4,5-dimethyl-6-(oxolan-2-ylmethoxy)pyridazine
SMILESCc1c(Cl)nnc(OCC2CCCO2)c1C
InChIInChI=1S/C11H15ClN2O2/c1-7-8(2)11(14-13-10(7)12)16-6-9-4-3-5-15-9/h9H,3-6H2,1-2H3
InChIKeyNGNGWVCJZQAVJA-UHFFFAOYSA-N
XLogP2.30
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine
CID 63271994
4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine
CID 63736573
4-chloro-2-methyl-5-nitro-6-(oxolan-2-ylmethoxy)pyrimidine
CID 130268236
2-methyl-4-(oxolan-2-ylmethoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 143219161
5-chloro-6-methyl-7-(oxan-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075870
5-chloro-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
CID 79728314
3-bromo-5-chloro-2-(oxolan-2-ylmethoxy)pyridine
CID 114837569
2,3-dimethyl-7-(oxolan-2-ylmethoxy)-1H-pyrrolo[2,3-c]pyridine
CID 11565020
3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine
CID 61258069
2-[(2,4,5-trichlorophenoxy)methyl]oxolane
CID 112779327
2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine
CID 80989749
trimethyl(oxolan-2-ylmethoxy)silane
CID 551445

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethyl-6-(oxolan-2-ylmethoxy)pyridazine?
The IUPAC name of 3-chloro-4,5-dimethyl-6-(oxolan-2-ylmethoxy)pyridazine (CID 63271996) is 3-chloro-4,5-dimethyl-6-(oxolan-2-ylmethoxy)pyridazine.
What is the SMILES notation for 3-chloro-4,5-dimethyl-6-(oxolan-2-ylmethoxy)pyridazine?
The canonical SMILES for 3-chloro-4,5-dimethyl-6-(oxolan-2-ylmethoxy)pyridazine is Cc1c(Cl)nnc(OCC2CCCO2)c1C.
What is the InChIKey of 3-chloro-4,5-dimethyl-6-(oxolan-2-ylmethoxy)pyridazine?
The InChIKey is NGNGWVCJZQAVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7-8(2)11(14-13-10(7)12)16-6-9-4-3-5-15-9/h9H,3-6H2,1-2H3.
What are the key properties of 3-chloro-4,5-dimethyl-6-(oxolan-2-ylmethoxy)pyridazine?
3-chloro-4,5-dimethyl-6-(oxolan-2-ylmethoxy)pyridazine has a molecular weight of 242.71 g/mol, XLogP of 2.30, 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-(oxolan-2-ylmethoxy)pyridazine is sourced from PubChem (CID 63271996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).