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

C15H18N4O2 — CID 61090117

IUPAC5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(OCCOc2ccccc2)nnc(C)c1C
InChIInChI=1S/C15H18N4O2/c1-10-11(2)18-19-15(13(10)14(16)17)21-9-8-20-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H3,16,17)
InChIKeySGEUUVXQHUXAIY-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.84
Rot. Bonds6

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

5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide (PubChem CID 61090117) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide
PubChem CID61090117
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(OCCOc2ccccc2)nnc(C)c1C
InChIInChI=1S/C15H18N4O2/c1-10-11(2)18-19-15(13(10)14(16)17)21-9-8-20-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H3,16,17)
InChIKeySGEUUVXQHUXAIY-UHFFFAOYSA-N
XLogP1.84
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridazine-4-carboximidamide
CID 112587803
3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide
CID 61092166
3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide
CID 104562347
4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide
CID 61175204
3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide
CID 61090301
[5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine
CID 61098225
5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide
CID 61090670
3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 106665853
3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide
CID 61229676
3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090482
3-(2-phenoxyethoxy)pyrazine-2-carboximidamide
CID 62684730
5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide
CID 63649514

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide?
The IUPAC name of 5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide (CID 61090117) is 5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide.
What is the SMILES notation for 5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide?
The canonical SMILES for 5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide is [H]/N=C(\N)c1c(OCCOc2ccccc2)nnc(C)c1C.
What is the InChIKey of 5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide?
The InChIKey is SGEUUVXQHUXAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-11(2)18-19-15(13(10)14(16)17)21-9-8-20-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H3,16,17).
What are the key properties of 5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide?
5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide has a molecular weight of 286.33 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide is sourced from PubChem (CID 61090117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).