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

C6H4F3N5 — CID 69039050

IUPAC5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C6H4F3N5/c7-6(8,9)3-1-4(10)14-5(13-3)11-2-12-14/h1-2H,10H2
InChIKeyJWUQCONUPCVLRZ-UHFFFAOYSA-N
MW203.13 g/mol
LogP0.73
Rot. Bonds

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

5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 69039050) has the molecular formula C6H4F3N5 and a molecular weight of 203.13 g/mol. Its IUPAC name is 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID69039050
Molecular FormulaC6H4F3N5
Molecular Weight203.13 g/mol
Exact Mass203.04
IUPAC Name5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C6H4F3N5/c7-6(8,9)3-1-4(10)14-5(13-3)11-2-12-14/h1-2H,10H2
InChIKeyJWUQCONUPCVLRZ-UHFFFAOYSA-N
XLogP0.73
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.13
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 69039050) is 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Nc1cc(C(F)(F)F)nc2ncnn12.
What is the InChIKey of 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JWUQCONUPCVLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N5/c7-6(8,9)3-1-4(10)14-5(13-3)11-2-12-14/h1-2H,10H2.
What are the key properties of 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 203.13 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 69039050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).