3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide

C12H9F3N4O — CID 62684733

IUPAC3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N4O/c13-12(14,15)7-2-1-3-8(6-7)20-11-9(10(16)17)18-4-5-19-11/h1-6H,(H3,16,17)
InChIKeyYKLSEHMFOGVYEZ-UHFFFAOYSA-N
MW282.22 g/mol
LogP2.57
Rot. Bonds3

About 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide

3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide (PubChem CID 62684733) has the molecular formula C12H9F3N4O and a molecular weight of 282.22 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
PubChem CID62684733
Molecular FormulaC12H9F3N4O
Molecular Weight282.22 g/mol
Exact Mass282.07
IUPAC Name3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N4O/c13-12(14,15)7-2-1-3-8(6-7)20-11-9(10(16)17)18-4-5-19-11/h1-6H,(H3,16,17)
InChIKeyYKLSEHMFOGVYEZ-UHFFFAOYSA-N
XLogP2.57
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 52.57
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 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide?
The IUPAC name of 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide (CID 62684733) is 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide?
The canonical SMILES for 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide?
The InChIKey is YKLSEHMFOGVYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O/c13-12(14,15)7-2-1-3-8(6-7)20-11-9(10(16)17)18-4-5-19-11/h1-6H,(H3,16,17).
What are the key properties of 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide?
3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide has a molecular weight of 282.22 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide is sourced from PubChem (CID 62684733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).