5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H9ClF3N5 — CID 162646186

IUPAC5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFc1cc(F)c(-c2c(Cl)nc3ncnn3c2NC2CC2)c(F)c1
InChIInChI=1S/C14H9ClF3N5/c15-12-11(10-8(17)3-6(16)4-9(10)18)13(21-7-1-2-7)23-14(22-12)19-5-20-23/h3-5,7,21H,1-2H2
InChIKeyYLPJUKFJEUWCSQ-UHFFFAOYSA-N
MW339.71 g/mol
LogP3.44
Rot. Bonds3

About 5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 162646186) has the molecular formula C14H9ClF3N5 and a molecular weight of 339.71 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID162646186
Molecular FormulaC14H9ClF3N5
Molecular Weight339.71 g/mol
Exact Mass339.05
IUPAC Name5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFc1cc(F)c(-c2c(Cl)nc3ncnn3c2NC2CC2)c(F)c1
InChIInChI=1S/C14H9ClF3N5/c15-12-11(10-8(17)3-6(16)4-9(10)18)13(21-7-1-2-7)23-14(22-12)19-5-20-23/h3-5,7,21H,1-2H2
InChIKeyYLPJUKFJEUWCSQ-UHFFFAOYSA-N
XLogP3.44
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.71
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 162646186) is 5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Fc1cc(F)c(-c2c(Cl)nc3ncnn3c2NC2CC2)c(F)c1.
What is the InChIKey of 5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YLPJUKFJEUWCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N5/c15-12-11(10-8(17)3-6(16)4-9(10)18)13(21-7-1-2-7)23-14(22-12)19-5-20-23/h3-5,7,21H,1-2H2.
What are the key properties of 5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 339.71 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 162646186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).