5-ethyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H19F3N6O2S — CID 133302253

IUPAC5-ethyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)n2ncnc2n1
InChIInChI=1S/C14H19F3N6O2S/c1-2-11-7-12(23-13(21-11)19-9-20-23)18-8-10-3-5-22(6-4-10)26(24,25)14(15,16)17/h7,9-10,18H,2-6,8H2,1H3
InChIKeyWRYAFJHWLILLBS-UHFFFAOYSA-N
MW392.41 g/mol
LogP1.66
Rot. Bonds5

About 5-ethyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133302253) has the molecular formula C14H19F3N6O2S and a molecular weight of 392.41 g/mol. Its IUPAC name is 5-ethyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133302253
Molecular FormulaC14H19F3N6O2S
Molecular Weight392.41 g/mol
Exact Mass392.12
IUPAC Name5-ethyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)n2ncnc2n1
InChIInChI=1S/C14H19F3N6O2S/c1-2-11-7-12(23-13(21-11)19-9-20-23)18-8-10-3-5-22(6-4-10)26(24,25)14(15,16)17/h7,9-10,18H,2-6,8H2,1H3
InChIKeyWRYAFJHWLILLBS-UHFFFAOYSA-N
XLogP1.66
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanesulfonamide
CID 56911367
5-ethyl-2,3-dimethyl-N-[1-(methylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70718913
5-Methyl-2-(1-methylsulfonylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 92418555
N,N-dimethyl-4-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide
CID 92418558
5-Methyl-2-(1-methylsulfonylpiperidin-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 110238498
(5R,7R)-5-ethyl-2-(1-ethylsulfonylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136760444
(5R,7R)-5-methyl-2-(1-methylsulfonylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136761292
(5R,7R)-2-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136761293
N,N-dimethyl-4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide
CID 136761296
(5R,7R)-5-methyl-2-(1-propan-2-ylsulfonylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136761297
N-[3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutyl]methanesulfonamide
CID 172460822
5-Ethyl-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46094523

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133302253) is 5-ethyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)n2ncnc2n1.
What is the InChIKey of 5-ethyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WRYAFJHWLILLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N6O2S/c1-2-11-7-12(23-13(21-11)19-9-20-23)18-8-10-3-5-22(6-4-10)26(24,25)14(15,16)17/h7,9-10,18H,2-6,8H2,1H3.
What are the key properties of 5-ethyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 392.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133302253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).