1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine

C6H5F3N4 — CID 143892216

IUPAC1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine
SMILES[H]/N=C(/n1ccnc/c1=N\[H])C(F)(F)F
InChIInChI=1S/C6H5F3N4/c7-6(8,9)5(11)13-2-1-12-3-4(13)10/h1-3,10-11H/b10-4+,11-5+
InChIKeyIVTSWXHGONJUQC-ZVSIBQGLSA-N
MW190.13 g/mol
LogP0.75
Rot. Bonds

About 1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine

1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine (PubChem CID 143892216) has the molecular formula C6H5F3N4 and a molecular weight of 190.13 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine
PubChem CID143892216
Molecular FormulaC6H5F3N4
Molecular Weight190.13 g/mol
Exact Mass190.05
IUPAC Name1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine
SMILES[H]/N=C(/n1ccnc/c1=N\[H])C(F)(F)F
InChIInChI=1S/C6H5F3N4/c7-6(8,9)5(11)13-2-1-12-3-4(13)10/h1-3,10-11H/b10-4+,11-5+
InChIKeyIVTSWXHGONJUQC-ZVSIBQGLSA-N
XLogP0.75
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 50.75
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 1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine?
The IUPAC name of 1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine (CID 143892216) is 1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine.
What is the SMILES notation for 1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine?
The canonical SMILES for 1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine is [H]/N=C(/n1ccnc/c1=N\[H])C(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine?
The InChIKey is IVTSWXHGONJUQC-ZVSIBQGLSA-N. The full InChI is InChI=1S/C6H5F3N4/c7-6(8,9)5(11)13-2-1-12-3-4(13)10/h1-3,10-11H/b10-4+,11-5+.
What are the key properties of 1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine?
1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine has a molecular weight of 190.13 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine is sourced from PubChem (CID 143892216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).