5-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid

C16H20F3N3O3S — CID 155831039

IUPAC5-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCOCC1CN(Cc2sccc2C)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C14H19N3OS.C2HF3O2/c1-11-3-4-19-14(11)8-16-6-12-5-15-10-17(12)13(7-16)9-18-2;3-2(4,5)1(6)7/h3-5,10,13H,6-9H2,1-2H3;(H,6,7)
InChIKeyJTFXFEYBDVKCQG-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.09
Rot. Bonds4

About 5-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid

5-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 155831039) has the molecular formula C16H20F3N3O3S and a molecular weight of 391.42 g/mol. Its IUPAC name is 5-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID155831039
Molecular FormulaC16H20F3N3O3S
Molecular Weight391.42 g/mol
Exact Mass391.12
IUPAC Name5-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCOCC1CN(Cc2sccc2C)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C14H19N3OS.C2HF3O2/c1-11-3-4-19-14(11)8-16-6-12-5-15-10-17(12)13(7-16)9-18-2;3-2(4,5)1(6)7/h3-5,10,13H,6-9H2,1-2H3;(H,6,7)
InChIKeyJTFXFEYBDVKCQG-UHFFFAOYSA-N
XLogP3.09
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid (CID 155831039) is 5-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid is COCC1CN(Cc2sccc2C)Cc2cncn21.O=C(O)C(F)(F)F.
What is the InChIKey of 5-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is JTFXFEYBDVKCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS.C2HF3O2/c1-11-3-4-19-14(11)8-16-6-12-5-15-10-17(12)13(7-16)9-18-2;3-2(4,5)1(6)7/h3-5,10,13H,6-9H2,1-2H3;(H,6,7).
What are the key properties of 5-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
5-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 391.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155831039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).