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

C11H16F3N5 — CID 80823874

IUPACN-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine
SMILESCNc1cncc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H16F3N5/c1-15-9-6-16-7-10(17-9)19-4-2-18(3-5-19)8-11(12,13)14/h6-7H,2-5,8H2,1H3,(H,15,17)
InChIKeyPXNQBCGSXUOWBD-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.20
Rot. Bonds3

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

N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine (PubChem CID 80823874) has the molecular formula C11H16F3N5 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine
PubChem CID80823874
Molecular FormulaC11H16F3N5
Molecular Weight275.28 g/mol
Exact Mass275.14
IUPAC NameN-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine
SMILESCNc1cncc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H16F3N5/c1-15-9-6-16-7-10(17-9)19-4-2-18(3-5-19)8-11(12,13)14/h6-7H,2-5,8H2,1H3,(H,15,17)
InChIKeyPXNQBCGSXUOWBD-UHFFFAOYSA-N
XLogP1.20
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine?
The IUPAC name of N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine (CID 80823874) is N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine?
The canonical SMILES for N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine is CNc1cncc(N2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine?
The InChIKey is PXNQBCGSXUOWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5/c1-15-9-6-16-7-10(17-9)19-4-2-18(3-5-19)8-11(12,13)14/h6-7H,2-5,8H2,1H3,(H,15,17).
What are the key properties of N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine?
N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine has a molecular weight of 275.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine is sourced from PubChem (CID 80823874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).