8-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

C7H6F3N5 — CID 175883231

IUPAC8-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESNc1ncnc2c(CC(F)(F)F)cnn12
InChIInChI=1S/C7H6F3N5/c8-7(9,10)1-4-2-14-15-5(4)12-3-13-6(15)11/h2-3H,1H2,(H2,11,12,13)
InChIKeyRAUVVSGRLPFYMZ-UHFFFAOYSA-N
MW217.15 g/mol
LogP0.81
Rot. Bonds1

About 8-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

8-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 175883231) has the molecular formula C7H6F3N5 and a molecular weight of 217.15 g/mol. Its IUPAC name is 8-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID175883231
Molecular FormulaC7H6F3N5
Molecular Weight217.15 g/mol
Exact Mass217.06
IUPAC Name8-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESNc1ncnc2c(CC(F)(F)F)cnn12
InChIInChI=1S/C7H6F3N5/c8-7(9,10)1-4-2-14-15-5(4)12-3-13-6(15)11/h2-3H,1H2,(H2,11,12,13)
InChIKeyRAUVVSGRLPFYMZ-UHFFFAOYSA-N
XLogP0.81
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 175883231) is 8-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is Nc1ncnc2c(CC(F)(F)F)cnn12.
What is the InChIKey of 8-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is RAUVVSGRLPFYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N5/c8-7(9,10)1-4-2-14-15-5(4)12-3-13-6(15)11/h2-3H,1H2,(H2,11,12,13).
What are the key properties of 8-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 217.15 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 175883231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).