1-(7-butylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid

C15H25F3N4O4S — CID 155825250

IUPAC1-(7-butylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid
SMILESCCCCS(=O)(=O)N1CCn2cc(CN(C)C)nc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H24N4O2S.C2HF3O2/c1-4-5-8-20(18,19)17-7-6-16-10-12(9-15(2)3)14-13(16)11-17;3-2(4,5)1(6)7/h10H,4-9,11H2,1-3H3;(H,6,7)
InChIKeyVABOKTZHZNRDMK-UHFFFAOYSA-N
MW414.45 g/mol
LogP1.52
Rot. Bonds6

About 1-(7-butylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid

1-(7-butylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid (PubChem CID 155825250) has the molecular formula C15H25F3N4O4S and a molecular weight of 414.45 g/mol. Its IUPAC name is 1-(7-butylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(7-butylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid
PubChem CID155825250
Molecular FormulaC15H25F3N4O4S
Molecular Weight414.45 g/mol
Exact Mass414.15
IUPAC Name1-(7-butylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid
SMILESCCCCS(=O)(=O)N1CCn2cc(CN(C)C)nc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H24N4O2S.C2HF3O2/c1-4-5-8-20(18,19)17-7-6-16-10-12(9-15(2)3)14-13(16)11-17;3-2(4,5)1(6)7/h10H,4-9,11H2,1-3H3;(H,6,7)
InChIKeyVABOKTZHZNRDMK-UHFFFAOYSA-N
XLogP1.52
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(7-butylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(7-butylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid (CID 155825250) is 1-(7-butylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(7-butylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(7-butylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid is CCCCS(=O)(=O)N1CCn2cc(CN(C)C)nc2C1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(7-butylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is VABOKTZHZNRDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S.C2HF3O2/c1-4-5-8-20(18,19)17-7-6-16-10-12(9-15(2)3)14-13(16)11-17;3-2(4,5)1(6)7/h10H,4-9,11H2,1-3H3;(H,6,7).
What are the key properties of 1-(7-butylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid?
1-(7-butylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 414.45 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-butylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155825250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).