N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine

C12H18F3N5 — CID 78990349

IUPACN-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine
SMILESCCNc1cncc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C12H18F3N5/c1-2-17-10-7-16-8-11(18-10)20-5-3-19(4-6-20)9-12(13,14)15/h7-8H,2-6,9H2,1H3,(H,17,18)
InChIKeyHMYNZWFEEDZDKE-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.59
Rot. Bonds4

About N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine

N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine (PubChem CID 78990349) has the molecular formula C12H18F3N5 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine
PubChem CID78990349
Molecular FormulaC12H18F3N5
Molecular Weight289.31 g/mol
Exact Mass289.15
IUPAC NameN-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine
SMILESCCNc1cncc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C12H18F3N5/c1-2-17-10-7-16-8-11(18-10)20-5-3-19(4-6-20)9-12(13,14)15/h7-8H,2-6,9H2,1H3,(H,17,18)
InChIKeyHMYNZWFEEDZDKE-UHFFFAOYSA-N
XLogP1.59
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine?
The IUPAC name of N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine (CID 78990349) is N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine.
What is the SMILES notation for N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine?
The canonical SMILES for N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine is CCNc1cncc(N2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine?
The InChIKey is HMYNZWFEEDZDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5/c1-2-17-10-7-16-8-11(18-10)20-5-3-19(4-6-20)9-12(13,14)15/h7-8H,2-6,9H2,1H3,(H,17,18).
What are the key properties of N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine?
N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine has a molecular weight of 289.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine is sourced from PubChem (CID 78990349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).