3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine

C13H20N2O3 — CID 99799558

IUPAC3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine
SMILESCc1cc(OCCO[C@@H]2CCCCO2)nnc1C
InChIInChI=1S/C13H20N2O3/c1-10-9-12(15-14-11(10)2)16-7-8-18-13-5-3-4-6-17-13/h9,13H,3-8H2,1-2H3/t13-/m1/s1
InChIKeyAXCBXAIGNKVWDO-CYBMUJFWSA-N
MW252.31 g/mol
LogP2.02
Rot. Bonds5

About 3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine

3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine (PubChem CID 99799558) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine.

Molecular Properties

Compound Name3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine
PubChem CID99799558
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine
SMILESCc1cc(OCCO[C@@H]2CCCCO2)nnc1C
InChIInChI=1S/C13H20N2O3/c1-10-9-12(15-14-11(10)2)16-7-8-18-13-5-3-4-6-17-13/h9,13H,3-8H2,1-2H3/t13-/m1/s1
InChIKeyAXCBXAIGNKVWDO-CYBMUJFWSA-N
XLogP2.02
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 178150765
2-[2-(4-bromo-3-methylphenoxy)ethoxy]oxane
CID 67314274
5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 150391771
2-(2-phenoxyethoxy)oxane
CID 11736193
2-methyl-6-nitro-3-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 66600765
4-chloro-2-methyl-6-[2-(oxan-2-yloxy)ethoxy]pyrimidin-5-amine
CID 151701701
4-bromo-2,5-dimethyl-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid
CID 118496621
2-(hydroxymethyl)-2-[4-(2-methyl-5-nitrophenyl)-6-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]propane-1,3-diol
CID 134609390
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-[2-(2-bromophenoxy)ethoxy]oxane
CID 11087925
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
CID 71107276
CID 71107276

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine?
The IUPAC name of 3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine (CID 99799558) is 3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine.
What is the SMILES notation for 3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine?
The canonical SMILES for 3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine is Cc1cc(OCCO[C@@H]2CCCCO2)nnc1C.
What is the InChIKey of 3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine?
The InChIKey is AXCBXAIGNKVWDO-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-9-12(15-14-11(10)2)16-7-8-18-13-5-3-4-6-17-13/h9,13H,3-8H2,1-2H3/t13-/m1/s1.
What are the key properties of 3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine?
3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine has a molecular weight of 252.31 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine is sourced from PubChem (CID 99799558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).