N-ethyl-N-[[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine;2,2,2-trifluoroacetic acid

C17H25F3N6O4S — CID 155850197

IUPACN-ethyl-N-[[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine;2,2,2-trifluoroacetic acid
SMILESCCN(CC)CC1CN(S(=O)(=O)c2cn(C)cn2)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N6O2S.C2HF3O2/c1-4-19(5-2)7-14-9-20(8-13-6-16-11-21(13)14)24(22,23)15-10-18(3)12-17-15;3-2(4,5)1(6)7/h6,10-12,14H,4-5,7-9H2,1-3H3;(H,6,7)
InChIKeyUAGZVYWJAWDOFS-UHFFFAOYSA-N
MW466.49 g/mol
LogP1.34
Rot. Bonds6

About N-ethyl-N-[[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine;2,2,2-trifluoroacetic acid

N-ethyl-N-[[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine;2,2,2-trifluoroacetic acid (PubChem CID 155850197) has the molecular formula C17H25F3N6O4S and a molecular weight of 466.49 g/mol. Its IUPAC name is N-ethyl-N-[[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-ethyl-N-[[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine;2,2,2-trifluoroacetic acid
PubChem CID155850197
Molecular FormulaC17H25F3N6O4S
Molecular Weight466.49 g/mol
Exact Mass466.16
IUPAC NameN-ethyl-N-[[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine;2,2,2-trifluoroacetic acid
SMILESCCN(CC)CC1CN(S(=O)(=O)c2cn(C)cn2)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N6O2S.C2HF3O2/c1-4-19(5-2)7-14-9-20(8-13-6-16-11-21(13)14)24(22,23)15-10-18(3)12-17-15;3-2(4,5)1(6)7/h6,10-12,14H,4-5,7-9H2,1-3H3;(H,6,7)
InChIKeyUAGZVYWJAWDOFS-UHFFFAOYSA-N
XLogP1.34
TPSA113.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-ethyl-N-[[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-ethyl-N-[[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine;2,2,2-trifluoroacetic acid (CID 155850197) is N-ethyl-N-[[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-ethyl-N-[[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-ethyl-N-[[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine;2,2,2-trifluoroacetic acid is CCN(CC)CC1CN(S(=O)(=O)c2cn(C)cn2)Cc2cncn21.O=C(O)C(F)(F)F.
What is the InChIKey of N-ethyl-N-[[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is UAGZVYWJAWDOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2S.C2HF3O2/c1-4-19(5-2)7-14-9-20(8-13-6-16-11-21(13)14)24(22,23)15-10-18(3)12-17-15;3-2(4,5)1(6)7/h6,10-12,14H,4-5,7-9H2,1-3H3;(H,6,7).
What are the key properties of N-ethyl-N-[[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine;2,2,2-trifluoroacetic acid?
N-ethyl-N-[[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 466.49 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).