3,3,3-trifluoro-N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide

C8H9F3N4OS — CID 103371352

IUPAC3,3,3-trifluoro-N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide
SMILESN/C(=N/O)C(CSc1cnccn1)C(F)(F)F
InChIInChI=1S/C8H9F3N4OS/c9-8(10,11)5(7(12)15-16)4-17-6-3-13-1-2-14-6/h1-3,5,16H,4H2,(H2,12,15)
InChIKeyDIRYYZAHEWCOPK-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.49
Rot. Bonds4

About 3,3,3-trifluoro-N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide (PubChem CID 103371352) has the molecular formula C8H9F3N4OS and a molecular weight of 266.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide
PubChem CID103371352
Molecular FormulaC8H9F3N4OS
Molecular Weight266.25 g/mol
Exact Mass266.04
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide
SMILESN/C(=N/O)C(CSc1cnccn1)C(F)(F)F
InChIInChI=1S/C8H9F3N4OS/c9-8(10,11)5(7(12)15-16)4-17-6-3-13-1-2-14-6/h1-3,5,16H,4H2,(H2,12,15)
InChIKeyDIRYYZAHEWCOPK-UHFFFAOYSA-N
XLogP1.49
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.49
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'}

Analyze 3,3,3-trifluoro-N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide (CID 103371352) is 3,3,3-trifluoro-N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide is N/C(=N/O)C(CSc1cnccn1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide?
The InChIKey is DIRYYZAHEWCOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4OS/c9-8(10,11)5(7(12)15-16)4-17-6-3-13-1-2-14-6/h1-3,5,16H,4H2,(H2,12,15).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide has a molecular weight of 266.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide is sourced from PubChem (CID 103371352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).