[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine

C11H19F3N6 — CID 62967069

IUPAC[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine
SMILESNCc1cn(CCN2CCN(CC(F)(F)F)CC2)nn1
InChIInChI=1S/C11H19F3N6/c12-11(13,14)9-19-3-1-18(2-4-19)5-6-20-8-10(7-15)16-17-20/h8H,1-7,9,15H2
InChIKeyNEGPGXYTVUVOCY-UHFFFAOYSA-N
MW292.31 g/mol
LogP-0.08
Rot. Bonds5

About [1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine

[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine (PubChem CID 62967069) has the molecular formula C11H19F3N6 and a molecular weight of 292.31 g/mol. Its IUPAC name is [1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine
PubChem CID62967069
Molecular FormulaC11H19F3N6
Molecular Weight292.31 g/mol
Exact Mass292.16
IUPAC Name[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine
SMILESNCc1cn(CCN2CCN(CC(F)(F)F)CC2)nn1
InChIInChI=1S/C11H19F3N6/c12-11(13,14)9-19-3-1-18(2-4-19)5-6-20-8-10(7-15)16-17-20/h8H,1-7,9,15H2
InChIKeyNEGPGXYTVUVOCY-UHFFFAOYSA-N
XLogP-0.08
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine (CID 62967069) is [1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine is NCc1cn(CCN2CCN(CC(F)(F)F)CC2)nn1.
What is the InChIKey of [1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine?
The InChIKey is NEGPGXYTVUVOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N6/c12-11(13,14)9-19-3-1-18(2-4-19)5-6-20-8-10(7-15)16-17-20/h8H,1-7,9,15H2.
What are the key properties of [1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine?
[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine has a molecular weight of 292.31 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62967069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).