7-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C13H16F3N5O — CID 133274321

IUPAC7-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCOC1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1
InChIInChI=1S/C13H16F3N5O/c1-2-22-9-4-3-5-20(7-9)11-6-10(13(14,15)16)19-12-17-8-18-21(11)12/h6,8-9H,2-5,7H2,1H3
InChIKeyCCPYZDCOEOMJJW-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.15
Rot. Bonds3

About 7-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 133274321) has the molecular formula C13H16F3N5O and a molecular weight of 315.30 g/mol. Its IUPAC name is 7-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID133274321
Molecular FormulaC13H16F3N5O
Molecular Weight315.30 g/mol
Exact Mass315.13
IUPAC Name7-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCOC1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1
InChIInChI=1S/C13H16F3N5O/c1-2-22-9-4-3-5-20(7-9)11-6-10(13(14,15)16)19-12-17-8-18-21(11)12/h6,8-9H,2-5,7H2,1H3
InChIKeyCCPYZDCOEOMJJW-UHFFFAOYSA-N
XLogP2.15
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 133274321) is 7-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is CCOC1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1.
What is the InChIKey of 7-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CCPYZDCOEOMJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O/c1-2-22-9-4-3-5-20(7-9)11-6-10(13(14,15)16)19-12-17-8-18-21(11)12/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 7-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 315.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 133274321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).