3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide

C15H19N5O — CID 61229676

IUPAC3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(Oc2cccc(N(C)C)c2)nnc(C)c1C
InChIInChI=1S/C15H19N5O/c1-9-10(2)18-19-15(13(9)14(16)17)21-12-7-5-6-11(8-12)20(3)4/h5-8H,1-4H3,(H3,16,17)
InChIKeyZRYKZBJZRYKHKC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.24
Rot. Bonds4

About 3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide

3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 61229676) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID61229676
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(Oc2cccc(N(C)C)c2)nnc(C)c1C
InChIInChI=1S/C15H19N5O/c1-9-10(2)18-19-15(13(9)14(16)17)21-12-7-5-6-11(8-12)20(3)4/h5-8H,1-4H3,(H3,16,17)
InChIKeyZRYKZBJZRYKHKC-UHFFFAOYSA-N
XLogP2.24
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.24
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

5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide
CID 61090670
4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide
CID 81036917
4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide
CID 81276721
5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide
CID 61090117
3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090482
5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide
CID 61092542
3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide
CID 61090301
3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 63269865
5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide
CID 63649514
3-(3-chlorophenoxy)-5,6-dimethylpyridazine-4-carbothioamide
CID 61098668
3-(3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbothioamide
CID 61098671
4-[[6-[3-(dimethylamino)phenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]amino]-3-hydroxybenzenecarboximidamide
CID 23441607

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide (CID 61229676) is 3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(Oc2cccc(N(C)C)c2)nnc(C)c1C.
What is the InChIKey of 3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is ZRYKZBJZRYKHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-9-10(2)18-19-15(13(9)14(16)17)21-12-7-5-6-11(8-12)20(3)4/h5-8H,1-4H3,(H3,16,17).
What are the key properties of 3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide?
3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 285.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 61229676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).