1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine

C8H8F3N5 — CID 84794145

IUPAC1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine
SMILESCC(N)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C8H8F3N5/c1-4(12)5-2-13-7-14-6(8(9,10)11)15-16(7)3-5/h2-4H,12H2,1H3
InChIKeyZXRGZMUZUXXYNK-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.16
Rot. Bonds1

About 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine

1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine (PubChem CID 84794145) has the molecular formula C8H8F3N5 and a molecular weight of 231.18 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine
PubChem CID84794145
Molecular FormulaC8H8F3N5
Molecular Weight231.18 g/mol
Exact Mass231.07
IUPAC Name1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine
SMILESCC(N)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C8H8F3N5/c1-4(12)5-2-13-7-14-6(8(9,10)11)15-16(7)3-5/h2-4H,12H2,1H3
InChIKeyZXRGZMUZUXXYNK-UHFFFAOYSA-N
XLogP1.16
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine?
The IUPAC name of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine (CID 84794145) is 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine.
What is the SMILES notation for 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine?
The canonical SMILES for 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine is CC(N)c1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine?
The InChIKey is ZXRGZMUZUXXYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5/c1-4(12)5-2-13-7-14-6(8(9,10)11)15-16(7)3-5/h2-4H,12H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine?
1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine has a molecular weight of 231.18 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine is sourced from PubChem (CID 84794145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).