3-ethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine

C15H23F3N4 — CID 71929251

IUPAC3-ethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine
SMILESCCC1CCC(NCc2nnc3n2CC(C(F)(F)F)CC3)C1
InChIInChI=1S/C15H23F3N4/c1-2-10-3-5-12(7-10)19-8-14-21-20-13-6-4-11(9-22(13)14)15(16,17)18/h10-12,19H,2-9H2,1H3
InChIKeyLEBDKGSREWHYOJ-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.07
Rot. Bonds4

About 3-ethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine

3-ethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine (PubChem CID 71929251) has the molecular formula C15H23F3N4 and a molecular weight of 316.37 g/mol. Its IUPAC name is 3-ethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine
PubChem CID71929251
Molecular FormulaC15H23F3N4
Molecular Weight316.37 g/mol
Exact Mass316.19
IUPAC Name3-ethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine
SMILESCCC1CCC(NCc2nnc3n2CC(C(F)(F)F)CC3)C1
InChIInChI=1S/C15H23F3N4/c1-2-10-3-5-12(7-10)19-8-14-21-20-13-6-4-11(9-22(13)14)15(16,17)18/h10-12,19H,2-9H2,1H3
InChIKeyLEBDKGSREWHYOJ-UHFFFAOYSA-N
XLogP3.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine?
The IUPAC name of 3-ethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine (CID 71929251) is 3-ethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine is CCC1CCC(NCc2nnc3n2CC(C(F)(F)F)CC3)C1.
What is the InChIKey of 3-ethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine?
The InChIKey is LEBDKGSREWHYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4/c1-2-10-3-5-12(7-10)19-8-14-21-20-13-6-4-11(9-22(13)14)15(16,17)18/h10-12,19H,2-9H2,1H3.
What are the key properties of 3-ethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine?
3-ethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine has a molecular weight of 316.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 71929251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).