1-[8-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]ethanamine

C9H8ClF3N4 — CID 164946374

IUPAC1-[8-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]ethanamine
SMILESCC(N)c1cn2cc(C(F)(F)F)nc2c(Cl)n1
InChIInChI=1S/C9H8ClF3N4/c1-4(14)5-2-17-3-6(9(11,12)13)16-8(17)7(10)15-5/h2-4H,14H2,1H3
InChIKeyGRMLKGKOKOKHMW-UHFFFAOYSA-N
MW264.64 g/mol
LogP2.42
Rot. Bonds1

About 1-[8-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]ethanamine

1-[8-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]ethanamine (PubChem CID 164946374) has the molecular formula C9H8ClF3N4 and a molecular weight of 264.64 g/mol. Its IUPAC name is 1-[8-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]ethanamine.

Molecular Properties

Compound Name1-[8-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]ethanamine
PubChem CID164946374
Molecular FormulaC9H8ClF3N4
Molecular Weight264.64 g/mol
Exact Mass264.04
IUPAC Name1-[8-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]ethanamine
SMILESCC(N)c1cn2cc(C(F)(F)F)nc2c(Cl)n1
InChIInChI=1S/C9H8ClF3N4/c1-4(14)5-2-17-3-6(9(11,12)13)16-8(17)7(10)15-5/h2-4H,14H2,1H3
InChIKeyGRMLKGKOKOKHMW-UHFFFAOYSA-N
XLogP2.42
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.64
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]ethanamine?
The IUPAC name of 1-[8-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]ethanamine (CID 164946374) is 1-[8-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]ethanamine.
What is the SMILES notation for 1-[8-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]ethanamine?
The canonical SMILES for 1-[8-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]ethanamine is CC(N)c1cn2cc(C(F)(F)F)nc2c(Cl)n1.
What is the InChIKey of 1-[8-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]ethanamine?
The InChIKey is GRMLKGKOKOKHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N4/c1-4(14)5-2-17-3-6(9(11,12)13)16-8(17)7(10)15-5/h2-4H,14H2,1H3.
What are the key properties of 1-[8-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]ethanamine?
1-[8-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]ethanamine has a molecular weight of 264.64 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]ethanamine is sourced from PubChem (CID 164946374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).