7-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid

C16H17F3N6O2S — CID 155832485

IUPAC7-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ncn(Cc2cn3c(n2)CN(Cc2ccsc2)CC3)n1
InChIInChI=1S/C14H16N6S.C2HF3O2/c1-4-21-9-12(1)5-18-2-3-19-6-13(17-14(19)8-18)7-20-11-15-10-16-20;3-2(4,5)1(6)7/h1,4,6,9-11H,2-3,5,7-8H2;(H,6,7)
InChIKeyGKAKYTKWULKPOI-UHFFFAOYSA-N
MW414.41 g/mol
LogP2.23
Rot. Bonds4

About 7-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid

7-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 155832485) has the molecular formula C16H17F3N6O2S and a molecular weight of 414.41 g/mol. Its IUPAC name is 7-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID155832485
Molecular FormulaC16H17F3N6O2S
Molecular Weight414.41 g/mol
Exact Mass414.11
IUPAC Name7-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ncn(Cc2cn3c(n2)CN(Cc2ccsc2)CC3)n1
InChIInChI=1S/C14H16N6S.C2HF3O2/c1-4-21-9-12(1)5-18-2-3-19-6-13(17-14(19)8-18)7-20-11-15-10-16-20;3-2(4,5)1(6)7/h1,4,6,9-11H,2-3,5,7-8H2;(H,6,7)
InChIKeyGKAKYTKWULKPOI-UHFFFAOYSA-N
XLogP2.23
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (CID 155832485) is 7-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ncn(Cc2cn3c(n2)CN(Cc2ccsc2)CC3)n1.
What is the InChIKey of 7-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is GKAKYTKWULKPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S.C2HF3O2/c1-4-21-9-12(1)5-18-2-3-19-6-13(17-14(19)8-18)7-20-11-15-10-16-20;3-2(4,5)1(6)7/h1,4,6,9-11H,2-3,5,7-8H2;(H,6,7).
What are the key properties of 7-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
7-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 414.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155832485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).