methyl 2-methyl-2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]propanoate

C16H20F3N5O2 — CID 133444438

IUPACmethyl 2-methyl-2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]propanoate
SMILESCOC(=O)C(C)(C)C1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1
InChIInChI=1S/C16H20F3N5O2/c1-15(2,13(25)26-3)10-5-4-6-23(8-10)12-7-11(16(17,18)19)22-14-20-9-21-24(12)14/h7,9-10H,4-6,8H2,1-3H3
InChIKeyJLGLFRJURLJYGA-UHFFFAOYSA-N
MW371.36 g/mol
LogP2.56
Rot. Bonds3

About methyl 2-methyl-2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]propanoate

methyl 2-methyl-2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]propanoate (PubChem CID 133444438) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is methyl 2-methyl-2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]propanoate
PubChem CID133444438
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC Namemethyl 2-methyl-2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]propanoate
SMILESCOC(=O)C(C)(C)C1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1
InChIInChI=1S/C16H20F3N5O2/c1-15(2,13(25)26-3)10-5-4-6-23(8-10)12-7-11(16(17,18)19)22-14-20-9-21-24(12)14/h7,9-10H,4-6,8H2,1-3H3
InChIKeyJLGLFRJURLJYGA-UHFFFAOYSA-N
XLogP2.56
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-methyl-2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]propanoate 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 methyl 2-methyl-2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]propanoate?
The IUPAC name of methyl 2-methyl-2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]propanoate (CID 133444438) is methyl 2-methyl-2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]propanoate is COC(=O)C(C)(C)C1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1.
What is the InChIKey of methyl 2-methyl-2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]propanoate?
The InChIKey is JLGLFRJURLJYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O2/c1-15(2,13(25)26-3)10-5-4-6-23(8-10)12-7-11(16(17,18)19)22-14-20-9-21-24(12)14/h7,9-10H,4-6,8H2,1-3H3.
What are the key properties of methyl 2-methyl-2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]propanoate?
methyl 2-methyl-2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]propanoate has a molecular weight of 371.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]propanoate is sourced from PubChem (CID 133444438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).