5-[2-(difluoromethoxy)ethoxy]-N'-hydroxypyrazine-2-carboximidamide

C8H10F2N4O3 — CID 144987969

IUPAC5-[2-(difluoromethoxy)ethoxy]-N'-hydroxypyrazine-2-carboximidamide
SMILESNC(=NO)c1cnc(OCCOC(F)F)cn1
InChIInChI=1S/C8H10F2N4O3/c9-8(10)17-2-1-16-6-4-12-5(3-13-6)7(11)14-15/h3-4,8,15H,1-2H2,(H2,11,14)
InChIKeyCUDPONSMJXLVGN-UHFFFAOYSA-N
MW248.19 g/mol
LogP0.19
Rot. Bonds6

About 5-[2-(difluoromethoxy)ethoxy]-N'-hydroxypyrazine-2-carboximidamide

5-[2-(difluoromethoxy)ethoxy]-N'-hydroxypyrazine-2-carboximidamide (PubChem CID 144987969) has the molecular formula C8H10F2N4O3 and a molecular weight of 248.19 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)ethoxy]-N'-hydroxypyrazine-2-carboximidamide.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)ethoxy]-N'-hydroxypyrazine-2-carboximidamide
PubChem CID144987969
Molecular FormulaC8H10F2N4O3
Molecular Weight248.19 g/mol
Exact Mass248.07
IUPAC Name5-[2-(difluoromethoxy)ethoxy]-N'-hydroxypyrazine-2-carboximidamide
SMILESNC(=NO)c1cnc(OCCOC(F)F)cn1
InChIInChI=1S/C8H10F2N4O3/c9-8(10)17-2-1-16-6-4-12-5(3-13-6)7(11)14-15/h3-4,8,15H,1-2H2,(H2,11,14)
InChIKeyCUDPONSMJXLVGN-UHFFFAOYSA-N
XLogP0.19
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)ethoxy]-N'-hydroxypyrazine-2-carboximidamide?
The IUPAC name of 5-[2-(difluoromethoxy)ethoxy]-N'-hydroxypyrazine-2-carboximidamide (CID 144987969) is 5-[2-(difluoromethoxy)ethoxy]-N'-hydroxypyrazine-2-carboximidamide.
What is the SMILES notation for 5-[2-(difluoromethoxy)ethoxy]-N'-hydroxypyrazine-2-carboximidamide?
The canonical SMILES for 5-[2-(difluoromethoxy)ethoxy]-N'-hydroxypyrazine-2-carboximidamide is NC(=NO)c1cnc(OCCOC(F)F)cn1.
What is the InChIKey of 5-[2-(difluoromethoxy)ethoxy]-N'-hydroxypyrazine-2-carboximidamide?
The InChIKey is CUDPONSMJXLVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N4O3/c9-8(10)17-2-1-16-6-4-12-5(3-13-6)7(11)14-15/h3-4,8,15H,1-2H2,(H2,11,14).
What are the key properties of 5-[2-(difluoromethoxy)ethoxy]-N'-hydroxypyrazine-2-carboximidamide?
5-[2-(difluoromethoxy)ethoxy]-N'-hydroxypyrazine-2-carboximidamide has a molecular weight of 248.19 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)ethoxy]-N'-hydroxypyrazine-2-carboximidamide is sourced from PubChem (CID 144987969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).