4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide

C15H22F3N7O2S — CID 166233808

IUPAC4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESCC(C)c1nnc2c(NC3CCN(S(=O)(=O)NCC(F)(F)F)CC3)nccn12
InChIInChI=1S/C15H22F3N7O2S/c1-10(2)13-22-23-14-12(19-5-8-25(13)14)21-11-3-6-24(7-4-11)28(26,27)20-9-15(16,17)18/h5,8,10-11,20H,3-4,6-7,9H2,1-2H3,(H,19,21)
InChIKeyVCYWYIHSSJTORU-UHFFFAOYSA-N
MW421.45 g/mol
LogP1.52
Rot. Bonds6

About 4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide

4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (PubChem CID 166233808) has the molecular formula C15H22F3N7O2S and a molecular weight of 421.45 g/mol. Its IUPAC name is 4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
PubChem CID166233808
Molecular FormulaC15H22F3N7O2S
Molecular Weight421.45 g/mol
Exact Mass421.15
IUPAC Name4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESCC(C)c1nnc2c(NC3CCN(S(=O)(=O)NCC(F)(F)F)CC3)nccn12
InChIInChI=1S/C15H22F3N7O2S/c1-10(2)13-22-23-14-12(19-5-8-25(13)14)21-11-3-6-24(7-4-11)28(26,27)20-9-15(16,17)18/h5,8,10-11,20H,3-4,6-7,9H2,1-2H3,(H,19,21)
InChIKeyVCYWYIHSSJTORU-UHFFFAOYSA-N
XLogP1.52
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The IUPAC name of 4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (CID 166233808) is 4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is CC(C)c1nnc2c(NC3CCN(S(=O)(=O)NCC(F)(F)F)CC3)nccn12.
What is the InChIKey of 4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The InChIKey is VCYWYIHSSJTORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N7O2S/c1-10(2)13-22-23-14-12(19-5-8-25(13)14)21-11-3-6-24(7-4-11)28(26,27)20-9-15(16,17)18/h5,8,10-11,20H,3-4,6-7,9H2,1-2H3,(H,19,21).
What are the key properties of 4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide has a molecular weight of 421.45 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 166233808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).