5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide

C13H11Cl3N4O — CID 61092542

IUPAC5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(Oc2cc(Cl)c(Cl)cc2Cl)nnc(C)c1C
InChIInChI=1S/C13H11Cl3N4O/c1-5-6(2)19-20-13(11(5)12(17)18)21-10-4-8(15)7(14)3-9(10)16/h3-4H,1-2H3,(H3,17,18)
InChIKeyAHNWZTKQSJNLBM-UHFFFAOYSA-N
MW345.62 g/mol
LogP4.13
Rot. Bonds3

About 5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide

5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide (PubChem CID 61092542) has the molecular formula C13H11Cl3N4O and a molecular weight of 345.62 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide
PubChem CID61092542
Molecular FormulaC13H11Cl3N4O
Molecular Weight345.62 g/mol
Exact Mass344.00
IUPAC Name5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(Oc2cc(Cl)c(Cl)cc2Cl)nnc(C)c1C
InChIInChI=1S/C13H11Cl3N4O/c1-5-6(2)19-20-13(11(5)12(17)18)21-10-4-8(15)7(14)3-9(10)16/h3-4H,1-2H3,(H3,17,18)
InChIKeyAHNWZTKQSJNLBM-UHFFFAOYSA-N
XLogP4.13
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.62
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090482
3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 63269865
5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide
CID 61090670
5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide
CID 63649514
3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide
CID 61229676
3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide
CID 61092166
5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide
CID 61090117
5,6-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridazine-4-carboximidamide
CID 112587803
3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide
CID 104562347
4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81051909
3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 106665853
3-cyclohexyloxy-5,6-dimethylpyridazine-4-carboximidamide
CID 61091609

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide?
The IUPAC name of 5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide (CID 61092542) is 5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide.
What is the SMILES notation for 5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide?
The canonical SMILES for 5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide is [H]/N=C(\N)c1c(Oc2cc(Cl)c(Cl)cc2Cl)nnc(C)c1C.
What is the InChIKey of 5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide?
The InChIKey is AHNWZTKQSJNLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N4O/c1-5-6(2)19-20-13(11(5)12(17)18)21-10-4-8(15)7(14)3-9(10)16/h3-4H,1-2H3,(H3,17,18).
What are the key properties of 5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide?
5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide has a molecular weight of 345.62 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide is sourced from PubChem (CID 61092542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).