[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

C15H18F3N5O — CID 136587994

IUPAC[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H](C)N1CC(F)(F)F
InChIInChI=1S/C15H18F3N5O/c1-10-5-21(6-11(2)23(10)8-15(16,17)18)14(24)12-3-4-13-20-19-9-22(13)7-12/h3-4,7,9-11H,5-6,8H2,1-2H3/t10-,11+
InChIKeyFRGABODBSUSBLQ-PHIMTYICSA-N
MW341.34 g/mol
LogP1.83
Rot. Bonds2

About [(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (PubChem CID 136587994) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is [(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
PubChem CID136587994
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H](C)N1CC(F)(F)F
InChIInChI=1S/C15H18F3N5O/c1-10-5-21(6-11(2)23(10)8-15(16,17)18)14(24)12-3-4-13-20-19-9-22(13)7-12/h3-4,7,9-11H,5-6,8H2,1-2H3/t10-,11+
InChIKeyFRGABODBSUSBLQ-PHIMTYICSA-N
XLogP1.83
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-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

Related Compounds

piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 97211491
[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 96513290
[1-(2,2,2-trifluoroethyl)piperidin-4-yl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 71982384
3H-benzimidazol-5-yl-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 136588239
(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 71871964
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride
CID 120742282
(4-amino-3,3-dimethylpiperidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 120816284
(2,2-dimethylthiomorpholin-4-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 71923473
[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 136587995
3-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137182026
(2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 124661275
N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 95905642

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The IUPAC name of [(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (CID 136587994) is [(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.
What is the SMILES notation for [(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The canonical SMILES for [(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is C[C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H](C)N1CC(F)(F)F.
What is the InChIKey of [(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The InChIKey is FRGABODBSUSBLQ-PHIMTYICSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-10-5-21(6-11(2)23(10)8-15(16,17)18)14(24)12-3-4-13-20-19-9-22(13)7-12/h3-4,7,9-11H,5-6,8H2,1-2H3/t10-,11+.
What are the key properties of [(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone has a molecular weight of 341.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is sourced from PubChem (CID 136587994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).