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

C8H8F3N5 — CID 84794146

IUPAC2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine
SMILESNCCc1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C8H8F3N5/c9-8(10,11)6-14-7-13-3-5(1-2-12)4-16(7)15-6/h3-4H,1-2,12H2
InChIKeyDUPMLJFBFKHBNE-UHFFFAOYSA-N
MW231.18 g/mol
LogP0.64
Rot. Bonds2

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

2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine (PubChem CID 84794146) has the molecular formula C8H8F3N5 and a molecular weight of 231.18 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine
PubChem CID84794146
Molecular FormulaC8H8F3N5
Molecular Weight231.18 g/mol
Exact Mass231.07
IUPAC Name2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine
SMILESNCCc1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C8H8F3N5/c9-8(10,11)6-14-7-13-3-5(1-2-12)4-16(7)15-6/h3-4H,1-2,12H2
InChIKeyDUPMLJFBFKHBNE-UHFFFAOYSA-N
XLogP0.64
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72885337
5-ethyl-N~4~-methyl-N~4~-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72899234
N~4~-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-5-ethylpyrimidine-2,4-diamine
CID 72926789
3-((1,2,4)Triazolo(1,5-a)pyrimidin-6-yl)propan-1-amine dihydrochloride
CID 91623794
5-ethyl-N-[(1-propyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
CID 72897270
6-N,5-diethyl-2-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 68949401
2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 82404834
2-Piperazin-1-yl-3-(1,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine
CID 89811449
2-Piperazin-1-yl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine
CID 89811450
6-Tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 123583424
3-(1,1,2-Trifluoroethyl)pyrazolo[1,5-a]pyrimidine
CID 139608471
2-propyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 141189456

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine?
The IUPAC name of 2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine (CID 84794146) is 2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine.
What is the SMILES notation for 2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine?
The canonical SMILES for 2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine is NCCc1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of 2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine?
The InChIKey is DUPMLJFBFKHBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5/c9-8(10,11)6-14-7-13-3-5(1-2-12)4-16(7)15-6/h3-4H,1-2,12H2.
What are the key properties of 2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine?
2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine has a molecular weight of 231.18 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine is sourced from PubChem (CID 84794146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).