2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone

C16H20F3N5O — CID 16614682

IUPAC2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1CCC(C)CC1
InChIInChI=1S/C16H20F3N5O/c1-9-4-6-23(7-5-9)13(25)8-12-10(2)20-15-21-14(16(17,18)19)22-24(15)11(12)3/h9H,4-8H2,1-3H3
InChIKeyNSZPNXFXPWXGRE-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.56
Rot. Bonds2

About 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 16614682) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID16614682
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1CCC(C)CC1
InChIInChI=1S/C16H20F3N5O/c1-9-4-6-23(7-5-9)13(25)8-12-10(2)20-15-21-14(16(17,18)19)22-24(15)11(12)3/h9H,4-8H2,1-3H3
InChIKeyNSZPNXFXPWXGRE-UHFFFAOYSA-N
XLogP2.56
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone 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 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 16614682) is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1CCC(C)CC1.
What is the InChIKey of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is NSZPNXFXPWXGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-9-4-6-23(7-5-9)13(25)8-12-10(2)20-15-21-14(16(17,18)19)22-24(15)11(12)3/h9H,4-8H2,1-3H3.
What are the key properties of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 355.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 16614682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).