3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide

C15H18N4O2 — CID 61090301

IUPAC3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(OCc2cccc(OC)c2)nnc(C)c1C
InChIInChI=1S/C15H18N4O2/c1-9-10(2)18-19-15(13(9)14(16)17)21-8-11-5-4-6-12(7-11)20-3/h4-7H,8H2,1-3H3,(H3,16,17)
InChIKeyKYNWAGXJBSWXCD-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.97
Rot. Bonds5

About 3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide

3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 61090301) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID61090301
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(OCc2cccc(OC)c2)nnc(C)c1C
InChIInChI=1S/C15H18N4O2/c1-9-10(2)18-19-15(13(9)14(16)17)21-8-11-5-4-6-12(7-11)20-3/h4-7H,8H2,1-3H3,(H3,16,17)
InChIKeyKYNWAGXJBSWXCD-UHFFFAOYSA-N
XLogP1.97
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxyphenyl)methoxy]pyrazine-2-carboximidamide
CID 62685242
5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide
CID 61090117
5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide
CID 61090670
2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 24694243
3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 61388847
3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide
CID 61229676
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 63092175
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61176359
3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide
CID 61092166
3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 106665853
3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090482
5,6-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridazine-4-carboximidamide
CID 112587803

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide (CID 61090301) is 3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(OCc2cccc(OC)c2)nnc(C)c1C.
What is the InChIKey of 3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is KYNWAGXJBSWXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-10(2)18-19-15(13(9)14(16)17)21-8-11-5-4-6-12(7-11)20-3/h4-7H,8H2,1-3H3,(H3,16,17).
What are the key properties of 3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide?
3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 286.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 61090301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).