5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C10H6F3N5S — CID 1252823

IUPAC5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C10H6F3N5S/c11-10(12,13)7-4-5(6-2-1-3-19-6)15-9-16-8(14)17-18(7)9/h1-4H,(H2,14,17)
InChIKeySYOWKLYGKDLJIT-UHFFFAOYSA-N
MW285.25 g/mol
LogP2.45
Rot. Bonds1

About 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 1252823) has the molecular formula C10H6F3N5S and a molecular weight of 285.25 g/mol. Its IUPAC name is 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID1252823
Molecular FormulaC10H6F3N5S
Molecular Weight285.25 g/mol
Exact Mass285.03
IUPAC Name5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C10H6F3N5S/c11-10(12,13)7-4-5(6-2-1-3-19-6)15-9-16-8(14)17-18(7)9/h1-4H,(H2,14,17)
InChIKeySYOWKLYGKDLJIT-UHFFFAOYSA-N
XLogP2.45
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 1252823) is 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Nc1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is SYOWKLYGKDLJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N5S/c11-10(12,13)7-4-5(6-2-1-3-19-6)15-9-16-8(14)17-18(7)9/h1-4H,(H2,14,17).
What are the key properties of 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 285.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 1252823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).