5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide

C14H16N4O — CID 61090670

IUPAC5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(Oc2cccc(C)c2)nnc(C)c1C
InChIInChI=1S/C14H16N4O/c1-8-5-4-6-11(7-8)19-14-12(13(15)16)9(2)10(3)17-18-14/h4-7H,1-3H3,(H3,15,16)
InChIKeyAAAQGRTVWSGMJS-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.48
Rot. Bonds3

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

5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide (PubChem CID 61090670) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide
PubChem CID61090670
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(Oc2cccc(C)c2)nnc(C)c1C
InChIInChI=1S/C14H16N4O/c1-8-5-4-6-11(7-8)19-14-12(13(15)16)9(2)10(3)17-18-14/h4-7H,1-3H3,(H3,15,16)
InChIKeyAAAQGRTVWSGMJS-UHFFFAOYSA-N
XLogP2.48
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.48
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

3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide
CID 61229676
3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090482
5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide
CID 61092542
5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide
CID 61090117
3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide
CID 61090301
5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide
CID 63649514
3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 63269865
2-chloro-6-(3-methylphenoxy)benzenecarboximidamide
CID 62496843
5-methyl-2-(3-methylphenoxy)benzenecarboximidamide
CID 114017320
6-(3-methylphenoxy)pyridine-3-carboximidamide
CID 24705712
3-(3-chlorophenoxy)-5,6-dimethylpyridazine-4-carbothioamide
CID 61098668
3-(3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbothioamide
CID 61098671

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide?
The IUPAC name of 5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide (CID 61090670) is 5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide.
What is the SMILES notation for 5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide?
The canonical SMILES for 5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide is [H]/N=C(\N)c1c(Oc2cccc(C)c2)nnc(C)c1C.
What is the InChIKey of 5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide?
The InChIKey is AAAQGRTVWSGMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-8-5-4-6-11(7-8)19-14-12(13(15)16)9(2)10(3)17-18-14/h4-7H,1-3H3,(H3,15,16).
What are the key properties of 5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide?
5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide has a molecular weight of 256.31 g/mol, XLogP of 2.48, 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-(3-methylphenoxy)pyridazine-4-carboximidamide is sourced from PubChem (CID 61090670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).