6-(4-fluorophenyl)-2-methyl-3-oxopyridazine-4-carboximidamide

C12H11FN4O — CID 82444018

IUPAC6-(4-fluorophenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccc(F)cc2)nn(C)c1=O
InChIInChI=1S/C12H11FN4O/c1-17-12(18)9(11(14)15)6-10(16-17)7-2-4-8(13)5-3-7/h2-6H,1H3,(H3,14,15)
InChIKeyOHQOTUFOWPKLCJ-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.87
Rot. Bonds2

About 6-(4-fluorophenyl)-2-methyl-3-oxopyridazine-4-carboximidamide

6-(4-fluorophenyl)-2-methyl-3-oxopyridazine-4-carboximidamide (PubChem CID 82444018) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-methyl-3-oxopyridazine-4-carboximidamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
PubChem CID82444018
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name6-(4-fluorophenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccc(F)cc2)nn(C)c1=O
InChIInChI=1S/C12H11FN4O/c1-17-12(18)9(11(14)15)6-10(16-17)7-2-4-8(13)5-3-7/h2-6H,1H3,(H3,14,15)
InChIKeyOHQOTUFOWPKLCJ-UHFFFAOYSA-N
XLogP0.87
TPSA84.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.87
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-methyl-3-oxopyridazine-4-carboximidamide?
The IUPAC name of 6-(4-fluorophenyl)-2-methyl-3-oxopyridazine-4-carboximidamide (CID 82444018) is 6-(4-fluorophenyl)-2-methyl-3-oxopyridazine-4-carboximidamide.
What is the SMILES notation for 6-(4-fluorophenyl)-2-methyl-3-oxopyridazine-4-carboximidamide?
The canonical SMILES for 6-(4-fluorophenyl)-2-methyl-3-oxopyridazine-4-carboximidamide is [H]/N=C(\N)c1cc(-c2ccc(F)cc2)nn(C)c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-2-methyl-3-oxopyridazine-4-carboximidamide?
The InChIKey is OHQOTUFOWPKLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c1-17-12(18)9(11(14)15)6-10(16-17)7-2-4-8(13)5-3-7/h2-6H,1H3,(H3,14,15).
What are the key properties of 6-(4-fluorophenyl)-2-methyl-3-oxopyridazine-4-carboximidamide?
6-(4-fluorophenyl)-2-methyl-3-oxopyridazine-4-carboximidamide has a molecular weight of 246.25 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-methyl-3-oxopyridazine-4-carboximidamide is sourced from PubChem (CID 82444018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).