3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide

C12H20N4O3 — CID 104562347

IUPAC3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(OCCOCCOC)nnc(C)c1C
InChIInChI=1S/C12H20N4O3/c1-8-9(2)15-16-12(10(8)11(13)14)19-7-6-18-5-4-17-3/h4-7H2,1-3H3,(H3,13,14)
InChIKeyMOHXESVIPBXEDI-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.42
Rot. Bonds8

About 3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide

3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 104562347) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID104562347
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(OCCOCCOC)nnc(C)c1C
InChIInChI=1S/C12H20N4O3/c1-8-9(2)15-16-12(10(8)11(13)14)19-7-6-18-5-4-17-3/h4-7H2,1-3H3,(H3,13,14)
InChIKeyMOHXESVIPBXEDI-UHFFFAOYSA-N
XLogP0.42
TPSA103.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridazine-4-carboximidamide
CID 112587803
5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide
CID 61090117
3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 106665853
3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide
CID 61092166
2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562382
3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090678
3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide
CID 61090301
5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide
CID 61092542
3-cyclohexyloxy-5,6-dimethylpyridazine-4-carboximidamide
CID 61091609
3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090482
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-2-carboximidamide
CID 104562334
2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide
CID 104562371

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide (CID 104562347) is 3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(OCCOCCOC)nnc(C)c1C.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is MOHXESVIPBXEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8-9(2)15-16-12(10(8)11(13)14)19-7-6-18-5-4-17-3/h4-7H2,1-3H3,(H3,13,14).
What are the key properties of 3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide?
3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 268.32 g/mol, XLogP of 0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 104562347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).