5-chloro-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazin-2-amine

C8H9ClF3N3 — CID 131076366

IUPAC5-chloro-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazin-2-amine
SMILESCC(C)(Nc1cnc(Cl)cn1)C(F)(F)F
InChIInChI=1S/C8H9ClF3N3/c1-7(2,8(10,11)12)15-6-4-13-5(9)3-14-6/h3-4H,1-2H3,(H,14,15)
InChIKeyBMNKBRFSIQDRPE-UHFFFAOYSA-N
MW239.63 g/mol
LogP2.88
Rot. Bonds2

About 5-chloro-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazin-2-amine

5-chloro-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazin-2-amine (PubChem CID 131076366) has the molecular formula C8H9ClF3N3 and a molecular weight of 239.63 g/mol. Its IUPAC name is 5-chloro-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazin-2-amine
PubChem CID131076366
Molecular FormulaC8H9ClF3N3
Molecular Weight239.63 g/mol
Exact Mass239.04
IUPAC Name5-chloro-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazin-2-amine
SMILESCC(C)(Nc1cnc(Cl)cn1)C(F)(F)F
InChIInChI=1S/C8H9ClF3N3/c1-7(2,8(10,11)12)15-6-4-13-5(9)3-14-6/h3-4H,1-2H3,(H,14,15)
InChIKeyBMNKBRFSIQDRPE-UHFFFAOYSA-N
XLogP2.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazin-2-amine?
The IUPAC name of 5-chloro-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazin-2-amine (CID 131076366) is 5-chloro-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-chloro-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-chloro-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazin-2-amine is CC(C)(Nc1cnc(Cl)cn1)C(F)(F)F.
What is the InChIKey of 5-chloro-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazin-2-amine?
The InChIKey is BMNKBRFSIQDRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3/c1-7(2,8(10,11)12)15-6-4-13-5(9)3-14-6/h3-4H,1-2H3,(H,14,15).
What are the key properties of 5-chloro-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazin-2-amine?
5-chloro-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazin-2-amine has a molecular weight of 239.63 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazin-2-amine is sourced from PubChem (CID 131076366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).