3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(oxolan-2-ylmethyl)propanamide

C16H20F3N5O2 — CID 18150548

IUPAC3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCC1CCCO1
InChIInChI=1S/C16H20F3N5O2/c1-9-12(5-6-13(25)20-8-11-4-3-7-26-11)10(2)24-15(21-9)22-14(23-24)16(17,18)19/h11H,3-8H2,1-2H3,(H,20,25)
InChIKeyJVLXBHXKYDXQMV-UHFFFAOYSA-N
MW371.36 g/mol
LogP1.99
Rot. Bonds5

About 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(oxolan-2-ylmethyl)propanamide

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 18150548) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID18150548
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCC1CCCO1
InChIInChI=1S/C16H20F3N5O2/c1-9-12(5-6-13(25)20-8-11-4-3-7-26-11)10(2)24-15(21-9)22-14(23-24)16(17,18)19/h11H,3-8H2,1-2H3,(H,20,25)
InChIKeyJVLXBHXKYDXQMV-UHFFFAOYSA-N
XLogP1.99
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(oxolan-2-ylmethyl)propanamide 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 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 18150548) is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(oxolan-2-ylmethyl)propanamide is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCC1CCCO1.
What is the InChIKey of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is JVLXBHXKYDXQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O2/c1-9-12(5-6-13(25)20-8-11-4-3-7-26-11)10(2)24-15(21-9)22-14(23-24)16(17,18)19/h11H,3-8H2,1-2H3,(H,20,25).
What are the key properties of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 371.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 18150548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).