N'-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidamide

C7H7F3N4O2 — CID 137026522

IUPACN'-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidamide
SMILESN/C(=N\O)c1cnc(OCC(F)(F)F)cn1
InChIInChI=1S/C7H7F3N4O2/c8-7(9,10)3-16-5-2-12-4(1-13-5)6(11)14-15/h1-2,15H,3H2,(H2,11,14)
InChIKeyWHHURFNLLSYDEJ-UHFFFAOYSA-N
MW236.15 g/mol
LogP0.51
Rot. Bonds3

About N'-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidamide

N'-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidamide (PubChem CID 137026522) has the molecular formula C7H7F3N4O2 and a molecular weight of 236.15 g/mol. Its IUPAC name is N'-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidamide
PubChem CID137026522
Molecular FormulaC7H7F3N4O2
Molecular Weight236.15 g/mol
Exact Mass236.05
IUPAC NameN'-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidamide
SMILESN/C(=N\O)c1cnc(OCC(F)(F)F)cn1
InChIInChI=1S/C7H7F3N4O2/c8-7(9,10)3-16-5-2-12-4(1-13-5)6(11)14-15/h1-2,15H,3H2,(H2,11,14)
InChIKeyWHHURFNLLSYDEJ-UHFFFAOYSA-N
XLogP0.51
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 50.51
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidamide (CID 137026522) is N'-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidamide is N/C(=N\O)c1cnc(OCC(F)(F)F)cn1.
What is the InChIKey of N'-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidamide?
The InChIKey is WHHURFNLLSYDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O2/c8-7(9,10)3-16-5-2-12-4(1-13-5)6(11)14-15/h1-2,15H,3H2,(H2,11,14).
What are the key properties of N'-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidamide?
N'-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidamide has a molecular weight of 236.15 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidamide is sourced from PubChem (CID 137026522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).