[(3R,4R)-3-ethylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C14H20F3N5O — CID 139299931

IUPAC[(3R,4R)-3-ethylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCC[C@H]1CNCC[C@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C14H20F3N5O/c1-2-9-7-18-4-3-10(9)12(23)21-5-6-22-11(8-21)19-20-13(22)14(15,16)17/h9-10,18H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyATIMMHYICAPPNE-VHSXEESVSA-N
MW331.34 g/mol
LogP1.27
Rot. Bonds2

About [(3R,4R)-3-ethylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

[(3R,4R)-3-ethylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 139299931) has the molecular formula C14H20F3N5O and a molecular weight of 331.34 g/mol. Its IUPAC name is [(3R,4R)-3-ethylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[(3R,4R)-3-ethylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID139299931
Molecular FormulaC14H20F3N5O
Molecular Weight331.34 g/mol
Exact Mass331.16
IUPAC Name[(3R,4R)-3-ethylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCC[C@H]1CNCC[C@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C14H20F3N5O/c1-2-9-7-18-4-3-10(9)12(23)21-5-6-22-11(8-21)19-20-13(22)14(15,16)17/h9-10,18H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyATIMMHYICAPPNE-VHSXEESVSA-N
XLogP1.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-3-ethylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone 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 [(3R,4R)-3-ethylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of [(3R,4R)-3-ethylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 139299931) is [(3R,4R)-3-ethylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [(3R,4R)-3-ethylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for [(3R,4R)-3-ethylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is CC[C@H]1CNCC[C@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of [(3R,4R)-3-ethylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is ATIMMHYICAPPNE-VHSXEESVSA-N. The full InChI is InChI=1S/C14H20F3N5O/c1-2-9-7-18-4-3-10(9)12(23)21-5-6-22-11(8-21)19-20-13(22)14(15,16)17/h9-10,18H,2-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of [(3R,4R)-3-ethylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
[(3R,4R)-3-ethylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 331.34 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-ethylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 139299931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).