N'-hydroxy-5-(trifluoromethyl)pyrazine-2-carboximidamide

C6H5F3N4O — CID 171469389

IUPACN'-hydroxy-5-(trifluoromethyl)pyrazine-2-carboximidamide
SMILESN/C(=N\O)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C6H5F3N4O/c7-6(8,9)4-2-11-3(1-12-4)5(10)13-14/h1-2,14H,(H2,10,13)
InChIKeyGDFHSCYSYBYFAZ-UHFFFAOYSA-N
MW206.13 g/mol
LogP0.59
Rot. Bonds1

About N'-hydroxy-5-(trifluoromethyl)pyrazine-2-carboximidamide

N'-hydroxy-5-(trifluoromethyl)pyrazine-2-carboximidamide (PubChem CID 171469389) has the molecular formula C6H5F3N4O and a molecular weight of 206.13 g/mol. Its IUPAC name is N'-hydroxy-5-(trifluoromethyl)pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(trifluoromethyl)pyrazine-2-carboximidamide
PubChem CID171469389
Molecular FormulaC6H5F3N4O
Molecular Weight206.13 g/mol
Exact Mass206.04
IUPAC NameN'-hydroxy-5-(trifluoromethyl)pyrazine-2-carboximidamide
SMILESN/C(=N\O)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C6H5F3N4O/c7-6(8,9)4-2-11-3(1-12-4)5(10)13-14/h1-2,14H,(H2,10,13)
InChIKeyGDFHSCYSYBYFAZ-UHFFFAOYSA-N
XLogP0.59
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 50.59
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-Hydroxy-2-pyrazinecarboximidamide
CID 2737233
N'-hydroxypyrazine-2-carboximidamide
CID 135544955
Pyrazine-2-carboxamidine hydrochloride
CID 470895
5-Methylpyrazine-2-carboximidamide
CID 2760055
1,2,4-Oxadiazole-5(2H)-thione, 3-pyrazinyl-
CID 3000453
Pyrazine-2-carboximidamide
CID 470896
N'-aminopyrazine-2-carboximidamide
CID 2800188
CID 135742049
CID 135742049
Pyrazine-2-carboximidohydrazide
CID 9583164
N'-methylpyrazine-2-carboximidamide
CID 63182040
(5-(Trifluoromethyl)pyrazin-2-YL)methanamine
CID 72212350
(6-(Trifluoromethyl)pyrazin-2-YL)methanamine
CID 72212641

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(trifluoromethyl)pyrazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-(trifluoromethyl)pyrazine-2-carboximidamide (CID 171469389) is N'-hydroxy-5-(trifluoromethyl)pyrazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(trifluoromethyl)pyrazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(trifluoromethyl)pyrazine-2-carboximidamide is N/C(=N\O)c1cnc(C(F)(F)F)cn1.
What is the InChIKey of N'-hydroxy-5-(trifluoromethyl)pyrazine-2-carboximidamide?
The InChIKey is GDFHSCYSYBYFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N4O/c7-6(8,9)4-2-11-3(1-12-4)5(10)13-14/h1-2,14H,(H2,10,13).
What are the key properties of N'-hydroxy-5-(trifluoromethyl)pyrazine-2-carboximidamide?
N'-hydroxy-5-(trifluoromethyl)pyrazine-2-carboximidamide has a molecular weight of 206.13 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(trifluoromethyl)pyrazine-2-carboximidamide is sourced from PubChem (CID 171469389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).