ethane;6-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C11H18F3N3 — CID 177136243

IUPACethane;6-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC.CCC1CCc2nnc(C(F)(F)F)n2C1
InChIInChI=1S/C9H12F3N3.C2H6/c1-2-6-3-4-7-13-14-8(9(10,11)12)15(7)5-6;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyDWPUTTQFCAJEQC-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.30
Rot. Bonds1

About ethane;6-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

ethane;6-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 177136243) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is ethane;6-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Nameethane;6-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID177136243
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Nameethane;6-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC.CCC1CCc2nnc(C(F)(F)F)n2C1
InChIInChI=1S/C9H12F3N3.C2H6/c1-2-6-3-4-7-13-14-8(9(10,11)12)15(7)5-6;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyDWPUTTQFCAJEQC-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of ethane;6-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 177136243) is ethane;6-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for ethane;6-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for ethane;6-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC.CCC1CCc2nnc(C(F)(F)F)n2C1.
What is the InChIKey of ethane;6-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is DWPUTTQFCAJEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3.C2H6/c1-2-6-3-4-7-13-14-8(9(10,11)12)15(7)5-6;1-2/h6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;6-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
ethane;6-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 249.28 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 177136243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).