5-(1-fluoroethylamino)pyrazine-2-carbonitrile

C7H7FN4 — CID 130331425

IUPAC5-(1-fluoroethylamino)pyrazine-2-carbonitrile
SMILESCC(F)Nc1cnc(C#N)cn1
InChIInChI=1S/C7H7FN4/c1-5(8)12-7-4-10-6(2-9)3-11-7/h3-5H,1H3,(H,11,12)
InChIKeyQOCRFJVUHOLOOC-UHFFFAOYSA-N
MW166.16 g/mol
LogP1.08
Rot. Bonds2

About 5-(1-fluoroethylamino)pyrazine-2-carbonitrile

5-(1-fluoroethylamino)pyrazine-2-carbonitrile (PubChem CID 130331425) has the molecular formula C7H7FN4 and a molecular weight of 166.16 g/mol. Its IUPAC name is 5-(1-fluoroethylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(1-fluoroethylamino)pyrazine-2-carbonitrile
PubChem CID130331425
Molecular FormulaC7H7FN4
Molecular Weight166.16 g/mol
Exact Mass166.07
IUPAC Name5-(1-fluoroethylamino)pyrazine-2-carbonitrile
SMILESCC(F)Nc1cnc(C#N)cn1
InChIInChI=1S/C7H7FN4/c1-5(8)12-7-4-10-6(2-9)3-11-7/h3-5H,1H3,(H,11,12)
InChIKeyQOCRFJVUHOLOOC-UHFFFAOYSA-N
XLogP1.08
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethylamino)pyrazine-2-carbonitrile?
The IUPAC name of 5-(1-fluoroethylamino)pyrazine-2-carbonitrile (CID 130331425) is 5-(1-fluoroethylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(1-fluoroethylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(1-fluoroethylamino)pyrazine-2-carbonitrile is CC(F)Nc1cnc(C#N)cn1.
What is the InChIKey of 5-(1-fluoroethylamino)pyrazine-2-carbonitrile?
The InChIKey is QOCRFJVUHOLOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN4/c1-5(8)12-7-4-10-6(2-9)3-11-7/h3-5H,1H3,(H,11,12).
What are the key properties of 5-(1-fluoroethylamino)pyrazine-2-carbonitrile?
5-(1-fluoroethylamino)pyrazine-2-carbonitrile has a molecular weight of 166.16 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 130331425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).