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

C12H13ClF3N5 — CID 87798202

IUPAC5-chloro-N-cyclopentyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)Cc1c(Cl)nc2ncnn2c1NC1CCCC1
InChIInChI=1S/C12H13ClF3N5/c13-9-8(5-12(14,15)16)10(19-7-3-1-2-4-7)21-11(20-9)17-6-18-21/h6-7,19H,1-5H2
InChIKeyVAYAVJWZUGAFOV-UHFFFAOYSA-N
MW319.72 g/mol
LogP3.24
Rot. Bonds3

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

5-chloro-N-cyclopentyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 87798202) has the molecular formula C12H13ClF3N5 and a molecular weight of 319.72 g/mol. Its IUPAC name is 5-chloro-N-cyclopentyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-cyclopentyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID87798202
Molecular FormulaC12H13ClF3N5
Molecular Weight319.72 g/mol
Exact Mass319.08
IUPAC Name5-chloro-N-cyclopentyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)Cc1c(Cl)nc2ncnn2c1NC1CCCC1
InChIInChI=1S/C12H13ClF3N5/c13-9-8(5-12(14,15)16)10(19-7-3-1-2-4-7)21-11(20-9)17-6-18-21/h6-7,19H,1-5H2
InChIKeyVAYAVJWZUGAFOV-UHFFFAOYSA-N
XLogP3.24
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-cyclopentyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopentyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-cyclopentyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 87798202) is 5-chloro-N-cyclopentyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-cyclopentyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-cyclopentyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is FC(F)(F)Cc1c(Cl)nc2ncnn2c1NC1CCCC1.
What is the InChIKey of 5-chloro-N-cyclopentyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VAYAVJWZUGAFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N5/c13-9-8(5-12(14,15)16)10(19-7-3-1-2-4-7)21-11(20-9)17-6-18-21/h6-7,19H,1-5H2.
What are the key properties of 5-chloro-N-cyclopentyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-cyclopentyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 319.72 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopentyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 87798202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).