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

C13H13FN4O — CID 61090302

IUPAC3-(2-fluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(Oc2ccccc2F)nnc(C)c1C
InChIInChI=1S/C13H13FN4O/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)
InChIKeyHMIZAMJDZWFPDM-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.31
Rot. Bonds3

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

3-(2-fluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 61090302) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID61090302
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name3-(2-fluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(Oc2ccccc2F)nnc(C)c1C
InChIInChI=1S/C13H13FN4O/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)
InChIKeyHMIZAMJDZWFPDM-UHFFFAOYSA-N
XLogP2.31
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.31
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'}

Analyze 3-(2-fluorophenoxy)-5,6-dimethylpyridazine-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

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(2-fluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide (CID 61090302) is 3-(2-fluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(2-fluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(2-fluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(Oc2ccccc2F)nnc(C)c1C.
What is the InChIKey of 3-(2-fluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is HMIZAMJDZWFPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/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-fluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide?
3-(2-fluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 260.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 61090302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).