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

C13H13ClN4O — CID 61090482

IUPAC3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(Oc2ccccc2Cl)nnc(C)c1C
InChIInChI=1S/C13H13ClN4O/c1-7-8(2)17-18-13(11(7)12(15)16)19-10-6-4-3-5-9(10)14/h3-6H,1-2H3,(H3,15,16)
InChIKeyVIQSMDIHGLOTSF-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.82
Rot. Bonds3

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

3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 61090482) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID61090482
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(Oc2ccccc2Cl)nnc(C)c1C
InChIInChI=1S/C13H13ClN4O/c1-7-8(2)17-18-13(11(7)12(15)16)19-10-6-4-3-5-9(10)14/h3-6H,1-2H3,(H3,15,16)
InChIKeyVIQSMDIHGLOTSF-UHFFFAOYSA-N
XLogP2.82
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.82
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

5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide
CID 61092542
5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide
CID 63649514
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-phenoxyethoxy)pyridazine-4-carboximidamide
CID 61090117
3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide
CID 61091978
3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide
CID 61229676
2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride
CID 82240764
5,6-dimethyl-3-(2-methylphenoxy)pyridazine-4-carbothioamide
CID 61098664
2-chloro-6-phenoxybenzenecarboximidamide
CID 53416807
3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide
CID 61092166
4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81051909

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide (CID 61090482) is 3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(Oc2ccccc2Cl)nnc(C)c1C.
What is the InChIKey of 3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is VIQSMDIHGLOTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-7-8(2)17-18-13(11(7)12(15)16)19-10-6-4-3-5-9(10)14/h3-6H,1-2H3,(H3,15,16).
What are the key properties of 3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide?
3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 276.73 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 61090482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).