8-methyl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

C8H8F3N5O — CID 67335905

IUPAC8-methyl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESCc1cnc(OCC(F)(F)F)n2nc(N)nc12
InChIInChI=1S/C8H8F3N5O/c1-4-2-13-7(17-3-8(9,10)11)16-5(4)14-6(12)15-16/h2H,3H2,1H3,(H2,12,15)
InChIKeyWGNJUQVNRNOEBB-UHFFFAOYSA-N
MW247.18 g/mol
LogP0.96
Rot. Bonds2

About 8-methyl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

8-methyl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (PubChem CID 67335905) has the molecular formula C8H8F3N5O and a molecular weight of 247.18 g/mol. Its IUPAC name is 8-methyl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.

Molecular Properties

Compound Name8-methyl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
PubChem CID67335905
Molecular FormulaC8H8F3N5O
Molecular Weight247.18 g/mol
Exact Mass247.07
IUPAC Name8-methyl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESCc1cnc(OCC(F)(F)F)n2nc(N)nc12
InChIInChI=1S/C8H8F3N5O/c1-4-2-13-7(17-3-8(9,10)11)16-5(4)14-6(12)15-16/h2H,3H2,1H3,(H2,12,15)
InChIKeyWGNJUQVNRNOEBB-UHFFFAOYSA-N
XLogP0.96
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The IUPAC name of 8-methyl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (CID 67335905) is 8-methyl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.
What is the SMILES notation for 8-methyl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The canonical SMILES for 8-methyl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is Cc1cnc(OCC(F)(F)F)n2nc(N)nc12.
What is the InChIKey of 8-methyl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The InChIKey is WGNJUQVNRNOEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5O/c1-4-2-13-7(17-3-8(9,10)11)16-5(4)14-6(12)15-16/h2H,3H2,1H3,(H2,12,15).
What are the key properties of 8-methyl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
8-methyl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine has a molecular weight of 247.18 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is sourced from PubChem (CID 67335905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).