5-(2,2-difluoroethoxy)pyrazine-2-carboximidamide

C7H8F2N4O — CID 82003872

IUPAC5-(2,2-difluoroethoxy)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1cnc(OCC(F)F)cn1
InChIInChI=1S/C7H8F2N4O/c8-5(9)3-14-6-2-12-4(1-13-6)7(10)11/h1-2,5H,3H2,(H3,10,11)
InChIKeyHAIGQFUKEXWVOU-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.40
Rot. Bonds4

About 5-(2,2-difluoroethoxy)pyrazine-2-carboximidamide

5-(2,2-difluoroethoxy)pyrazine-2-carboximidamide (PubChem CID 82003872) has the molecular formula C7H8F2N4O and a molecular weight of 202.16 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)pyrazine-2-carboximidamide
PubChem CID82003872
Molecular FormulaC7H8F2N4O
Molecular Weight202.16 g/mol
Exact Mass202.07
IUPAC Name5-(2,2-difluoroethoxy)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1cnc(OCC(F)F)cn1
InChIInChI=1S/C7H8F2N4O/c8-5(9)3-14-6-2-12-4(1-13-6)7(10)11/h1-2,5H,3H2,(H3,10,11)
InChIKeyHAIGQFUKEXWVOU-UHFFFAOYSA-N
XLogP0.40
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.40
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 5-(2,2-difluoroethoxy)pyrazine-2-carboximidamide?
The IUPAC name of 5-(2,2-difluoroethoxy)pyrazine-2-carboximidamide (CID 82003872) is 5-(2,2-difluoroethoxy)pyrazine-2-carboximidamide.
What is the SMILES notation for 5-(2,2-difluoroethoxy)pyrazine-2-carboximidamide?
The canonical SMILES for 5-(2,2-difluoroethoxy)pyrazine-2-carboximidamide is [H]/N=C(\N)c1cnc(OCC(F)F)cn1.
What is the InChIKey of 5-(2,2-difluoroethoxy)pyrazine-2-carboximidamide?
The InChIKey is HAIGQFUKEXWVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N4O/c8-5(9)3-14-6-2-12-4(1-13-6)7(10)11/h1-2,5H,3H2,(H3,10,11).
What are the key properties of 5-(2,2-difluoroethoxy)pyrazine-2-carboximidamide?
5-(2,2-difluoroethoxy)pyrazine-2-carboximidamide has a molecular weight of 202.16 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)pyrazine-2-carboximidamide is sourced from PubChem (CID 82003872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).