N-cyclopentyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

C15H18F3N5O — CID 16621654

IUPACN-cyclopentyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC1CCCC1
InChIInChI=1S/C15H18F3N5O/c1-8-11(7-12(24)20-10-5-3-4-6-10)9(2)23-14(19-8)21-13(22-23)15(16,17)18/h10H,3-7H2,1-2H3,(H,20,24)
InChIKeyKIJJKOKKLIAEBK-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.36
Rot. Bonds3

About N-cyclopentyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

N-cyclopentyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide (PubChem CID 16621654) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is N-cyclopentyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
PubChem CID16621654
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC NameN-cyclopentyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC1CCCC1
InChIInChI=1S/C15H18F3N5O/c1-8-11(7-12(24)20-10-5-3-4-6-10)9(2)23-14(19-8)21-13(22-23)15(16,17)18/h10H,3-7H2,1-2H3,(H,20,24)
InChIKeyKIJJKOKKLIAEBK-UHFFFAOYSA-N
XLogP2.36
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide 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 N-cyclopentyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide (CID 16621654) is N-cyclopentyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The InChIKey is KIJJKOKKLIAEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-8-11(7-12(24)20-10-5-3-4-6-10)9(2)23-14(19-8)21-13(22-23)15(16,17)18/h10H,3-7H2,1-2H3,(H,20,24).
What are the key properties of N-cyclopentyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
N-cyclopentyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide has a molecular weight of 341.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 16621654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).