1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]ethanone

C15H20F3N5O2 — CID 91956941

IUPAC1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(C(=O)N2CCn3c(nnc3C(F)(F)F)C2C)C1
InChIInChI=1S/C15H20F3N5O2/c1-9-12-19-20-14(15(16,17)18)23(12)7-6-22(9)13(25)11-4-3-5-21(8-11)10(2)24/h9,11H,3-8H2,1-2H3
InChIKeyNHZYQAUZCVLWED-UHFFFAOYSA-N
MW359.35 g/mol
LogP1.46
Rot. Bonds1

About 1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]ethanone

1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]ethanone (PubChem CID 91956941) has the molecular formula C15H20F3N5O2 and a molecular weight of 359.35 g/mol. Its IUPAC name is 1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]ethanone
PubChem CID91956941
Molecular FormulaC15H20F3N5O2
Molecular Weight359.35 g/mol
Exact Mass359.16
IUPAC Name1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(C(=O)N2CCn3c(nnc3C(F)(F)F)C2C)C1
InChIInChI=1S/C15H20F3N5O2/c1-9-12-19-20-14(15(16,17)18)23(12)7-6-22(9)13(25)11-4-3-5-21(8-11)10(2)24/h9,11H,3-8H2,1-2H3
InChIKeyNHZYQAUZCVLWED-UHFFFAOYSA-N
XLogP1.46
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]ethanone 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 1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]ethanone (CID 91956941) is 1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(C(=O)N2CCn3c(nnc3C(F)(F)F)C2C)C1.
What is the InChIKey of 1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is NHZYQAUZCVLWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O2/c1-9-12-19-20-14(15(16,17)18)23(12)7-6-22(9)13(25)11-4-3-5-21(8-11)10(2)24/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]ethanone?
1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 359.35 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91956941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).