3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide

C13H12F2N4O — CID 63269865

IUPAC3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(Oc2cc(F)ccc2F)nnc(C)c1C
InChIInChI=1S/C13H12F2N4O/c1-6-7(2)18-19-13(11(6)12(16)17)20-10-5-8(14)3-4-9(10)15/h3-5H,1-2H3,(H3,16,17)
InChIKeyHIALYQXOYRVCBG-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.45
Rot. Bonds3

About 3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide

3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 63269865) has the molecular formula C13H12F2N4O and a molecular weight of 278.26 g/mol. Its IUPAC name is 3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID63269865
Molecular FormulaC13H12F2N4O
Molecular Weight278.26 g/mol
Exact Mass278.10
IUPAC Name3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(Oc2cc(F)ccc2F)nnc(C)c1C
InChIInChI=1S/C13H12F2N4O/c1-6-7(2)18-19-13(11(6)12(16)17)20-10-5-8(14)3-4-9(10)15/h3-5H,1-2H3,(H3,16,17)
InChIKeyHIALYQXOYRVCBG-UHFFFAOYSA-N
XLogP2.45
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 63269866
3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090482
5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide
CID 63649514
5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide
CID 61092542
5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide
CID 61090670
3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide
CID 61229676
4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 102982075
2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175206
3-(2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924854
2-(2-fluoro-5-methylphenoxy)-6-methylpyridine-3-carboximidamide
CID 64855988
5-(5-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 114673652
5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide
CID 61090117

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide (CID 63269865) is 3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(Oc2cc(F)ccc2F)nnc(C)c1C.
What is the InChIKey of 3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is HIALYQXOYRVCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4O/c1-6-7(2)18-19-13(11(6)12(16)17)20-10-5-8(14)3-4-9(10)15/h3-5H,1-2H3,(H3,16,17).
What are the key properties of 3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide?
3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 278.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 63269865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).