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

C13H13FN4O2 — CID 136924854

IUPAC3-(2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
SMILESCc1nnc(Oc2ccccc2F)c(/C(N)=N/O)c1C
InChIInChI=1S/C13H13FN4O2/c1-7-8(2)16-17-13(11(7)12(15)18-19)20-10-6-4-3-5-9(10)14/h3-6,19H,1-2H3,(H2,15,18)
InChIKeyBIOUYUGJKJGWEZ-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.12
Rot. Bonds3

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

3-(2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 136924854) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID136924854
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC Name3-(2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
SMILESCc1nnc(Oc2ccccc2F)c(/C(N)=N/O)c1C
InChIInChI=1S/C13H13FN4O2/c1-7-8(2)16-17-13(11(7)12(15)18-19)20-10-6-4-3-5-9(10)14/h3-6,19H,1-2H3,(H2,15,18)
InChIKeyBIOUYUGJKJGWEZ-UHFFFAOYSA-N
XLogP2.12
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.12
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromo-2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924911
N'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide
CID 136924888
3-(3-chlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924866
3-(3,4-dichlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924935
5,6-dimethyl-3-(2-methylphenoxy)pyridazine-4-carbothioamide
CID 61098664
3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 63269865
N'-hydroxy-5,6-dimethyl-3-propoxypyridazine-4-carboximidamide
CID 136924927
N'-hydroxy-5,6-dimethyl-3-(N-methylanilino)pyridazine-4-carboximidamide
CID 136924769
4-(2-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 135965068
4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81036289
5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide
CID 63649514
3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090482

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide (CID 136924854) is 3-(2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide is Cc1nnc(Oc2ccccc2F)c(/C(N)=N/O)c1C.
What is the InChIKey of 3-(2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is BIOUYUGJKJGWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2/c1-7-8(2)16-17-13(11(7)12(15)18-19)20-10-6-4-3-5-9(10)14/h3-6,19H,1-2H3,(H2,15,18).
What are the key properties of 3-(2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
3-(2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 276.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 136924854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).