3,3,3-trifluoro-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide

C8H9F3N4S — CID 103371452

IUPAC3,3,3-trifluoro-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide
SMILES[H]/N=C(\N)C(CSc1cnccn1)C(F)(F)F
InChIInChI=1S/C8H9F3N4S/c9-8(10,11)5(7(12)13)4-16-6-3-14-1-2-15-6/h1-3,5H,4H2,(H3,12,13)
InChIKeyQOFVNPMKGXZPMP-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.68
Rot. Bonds4

About 3,3,3-trifluoro-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide

3,3,3-trifluoro-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide (PubChem CID 103371452) has the molecular formula C8H9F3N4S and a molecular weight of 250.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide
PubChem CID103371452
Molecular FormulaC8H9F3N4S
Molecular Weight250.25 g/mol
Exact Mass250.05
IUPAC Name3,3,3-trifluoro-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide
SMILES[H]/N=C(\N)C(CSc1cnccn1)C(F)(F)F
InChIInChI=1S/C8H9F3N4S/c9-8(10,11)5(7(12)13)4-16-6-3-14-1-2-15-6/h1-3,5H,4H2,(H3,12,13)
InChIKeyQOFVNPMKGXZPMP-UHFFFAOYSA-N
XLogP1.68
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.68
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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Related Compounds

1,1,1-Trifluoro-2-pyrazin-2-ylsulfanylpentan-3-amine
CID 63380474
4,4,4-Trifluoro-3-pyrazin-2-ylsulfanylbutan-2-amine
CID 63380475
3,3,3-Trifluoro-2-pyrazin-2-ylsulfanylpropan-1-amine
CID 63380515
4,4,4-Trifluoro-3-pyrazin-2-ylsulfanylbutan-1-amine
CID 63380914
2,2,2-trifluoro-N-(2-pyrazin-2-ylsulfanylethyl)ethanamine
CID 63381215
2-pyrazin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63381857
3,3,3-Trifluoro-2-(pyrazin-2-ylsulfanylmethyl)propanenitrile
CID 103371247
3,3,3-trifluoro-N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide
CID 103371352
3,3,3-Trifluoro-2-(pyrazin-2-ylsulfanylmethyl)propan-1-amine
CID 103371685
3-(4,4,4-Trifluorobutylsulfanyl)pyrazin-2-amine
CID 106678852
2-Pyrazin-2-ylsulfanylethanimidamide
CID 63380757
3-Pyrazin-2-ylsulfanylpropanimidamide
CID 63380805

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide (CID 103371452) is 3,3,3-trifluoro-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide is [H]/N=C(\N)C(CSc1cnccn1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide?
The InChIKey is QOFVNPMKGXZPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4S/c9-8(10,11)5(7(12)13)4-16-6-3-14-1-2-15-6/h1-3,5H,4H2,(H3,12,13).
What are the key properties of 3,3,3-trifluoro-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide?
3,3,3-trifluoro-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide has a molecular weight of 250.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(pyrazin-2-ylsulfanylmethyl)propanimidamide is sourced from PubChem (CID 103371452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).