N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C7H6F3N5 — CID 70282858

IUPACN-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESFC(F)(F)CNc1nc2ncccn2n1
InChIInChI=1S/C7H6F3N5/c8-7(9,10)4-12-5-13-6-11-2-1-3-15(6)14-5/h1-3H,4H2,(H,12,14)
InChIKeyDJKIFYCAUITTDB-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.10
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 70282858) has the molecular formula C7H6F3N5 and a molecular weight of 217.15 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID70282858
Molecular FormulaC7H6F3N5
Molecular Weight217.15 g/mol
Exact Mass217.06
IUPAC NameN-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESFC(F)(F)CNc1nc2ncccn2n1
InChIInChI=1S/C7H6F3N5/c8-7(9,10)4-12-5-13-6-11-2-1-3-15(6)14-5/h1-3H,4H2,(H,12,14)
InChIKeyDJKIFYCAUITTDB-UHFFFAOYSA-N
XLogP1.10
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 70282858) is N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is FC(F)(F)CNc1nc2ncccn2n1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is DJKIFYCAUITTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N5/c8-7(9,10)4-12-5-13-6-11-2-1-3-15(6)14-5/h1-3H,4H2,(H,12,14).
What are the key properties of N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 217.15 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 70282858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).