6-chloro-5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H17ClF3N5 — CID 58128382

IUPAC6-chloro-5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2ncnn2c(NC2CCC(C(F)(F)F)CC2)c1Cl
InChIInChI=1S/C14H17ClF3N5/c1-2-10-11(15)12(23-13(22-10)19-7-20-23)21-9-5-3-8(4-6-9)14(16,17)18/h7-9,21H,2-6H2,1H3
InChIKeySGTXCUZVEIYNRY-UHFFFAOYSA-N
MW347.77 g/mol
LogP3.87
Rot. Bonds3

About 6-chloro-5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-chloro-5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 58128382) has the molecular formula C14H17ClF3N5 and a molecular weight of 347.77 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID58128382
Molecular FormulaC14H17ClF3N5
Molecular Weight347.77 g/mol
Exact Mass347.11
IUPAC Name6-chloro-5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2ncnn2c(NC2CCC(C(F)(F)F)CC2)c1Cl
InChIInChI=1S/C14H17ClF3N5/c1-2-10-11(15)12(23-13(22-10)19-7-20-23)21-9-5-3-8(4-6-9)14(16,17)18/h7-9,21H,2-6H2,1H3
InChIKeySGTXCUZVEIYNRY-UHFFFAOYSA-N
XLogP3.87
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[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 6-chloro-5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-chloro-5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 58128382) is 6-chloro-5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1nc2ncnn2c(NC2CCC(C(F)(F)F)CC2)c1Cl.
What is the InChIKey of 6-chloro-5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SGTXCUZVEIYNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N5/c1-2-10-11(15)12(23-13(22-10)19-7-20-23)21-9-5-3-8(4-6-9)14(16,17)18/h7-9,21H,2-6H2,1H3.
What are the key properties of 6-chloro-5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-chloro-5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 347.77 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 58128382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).