N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanesulfonamide

C8H11F3N4O2S — CID 76849923

IUPACN-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nc(C(F)(F)F)n2c1CNCC2
InChIInChI=1S/C8H11F3N4O2S/c1-18(16,17)14-6-5-4-12-2-3-15(5)7(13-6)8(9,10)11/h12,14H,2-4H2,1H3
InChIKeyQPPZZDVUYFOXNL-UHFFFAOYSA-N
MW284.26 g/mol
LogP0.38
Rot. Bonds2

About N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanesulfonamide

N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanesulfonamide (PubChem CID 76849923) has the molecular formula C8H11F3N4O2S and a molecular weight of 284.26 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanesulfonamide
PubChem CID76849923
Molecular FormulaC8H11F3N4O2S
Molecular Weight284.26 g/mol
Exact Mass284.06
IUPAC NameN-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nc(C(F)(F)F)n2c1CNCC2
InChIInChI=1S/C8H11F3N4O2S/c1-18(16,17)14-6-5-4-12-2-3-15(5)7(13-6)8(9,10)11/h12,14H,2-4H2,1H3
InChIKeyQPPZZDVUYFOXNL-UHFFFAOYSA-N
XLogP0.38
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanesulfonamide?
The IUPAC name of N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanesulfonamide (CID 76849923) is N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanesulfonamide?
The canonical SMILES for N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanesulfonamide is CS(=O)(=O)Nc1nc(C(F)(F)F)n2c1CNCC2.
What is the InChIKey of N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanesulfonamide?
The InChIKey is QPPZZDVUYFOXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2S/c1-18(16,17)14-6-5-4-12-2-3-15(5)7(13-6)8(9,10)11/h12,14H,2-4H2,1H3.
What are the key properties of N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanesulfonamide?
N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanesulfonamide has a molecular weight of 284.26 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanesulfonamide is sourced from PubChem (CID 76849923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).