5-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazine-2-carbonitrile

C8H7F3N4 — CID 165380786

IUPAC5-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazine-2-carbonitrile
SMILESCC(c1nc(N)cnc1C#N)C(F)(F)F
InChIInChI=1S/C8H7F3N4/c1-4(8(9,10)11)7-5(2-12)14-3-6(13)15-7/h3-4H,1H3,(H2,13,15)
InChIKeyYOIUSYRJGCXAMH-UHFFFAOYSA-N
MW216.17 g/mol
LogP1.60
Rot. Bonds1

About 5-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazine-2-carbonitrile

5-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazine-2-carbonitrile (PubChem CID 165380786) has the molecular formula C8H7F3N4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 5-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazine-2-carbonitrile
PubChem CID165380786
Molecular FormulaC8H7F3N4
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name5-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazine-2-carbonitrile
SMILESCC(c1nc(N)cnc1C#N)C(F)(F)F
InChIInChI=1S/C8H7F3N4/c1-4(8(9,10)11)7-5(2-12)14-3-6(13)15-7/h3-4H,1H3,(H2,13,15)
InChIKeyYOIUSYRJGCXAMH-UHFFFAOYSA-N
XLogP1.60
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazine-2-carbonitrile?
The IUPAC name of 5-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazine-2-carbonitrile (CID 165380786) is 5-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazine-2-carbonitrile is CC(c1nc(N)cnc1C#N)C(F)(F)F.
What is the InChIKey of 5-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazine-2-carbonitrile?
The InChIKey is YOIUSYRJGCXAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4/c1-4(8(9,10)11)7-5(2-12)14-3-6(13)15-7/h3-4H,1H3,(H2,13,15).
What are the key properties of 5-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazine-2-carbonitrile?
5-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazine-2-carbonitrile has a molecular weight of 216.17 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 165380786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).