6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid

C19H23F3N6O3S — CID 118744075

About 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid

6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 118744075) has the molecular formula C19H23F3N6O3S and a molecular weight of 472.49 g/mol. Its IUPAC name is 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
• PubChem CID: 118744075
• Molecular Formula: C19H23F3N6O3S
• Molecular Weight: 472.49 g/mol
• Exact Mass: 472.15
• IUPAC Name: 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
• SMILES: COCC1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1ccc(C)s1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H22N6OS.C2HF3O2/c1-12-4-5-15(25-12)9-22-10-16-17(13-6-18-21(2)7-13)19-20-23(16)8-14(22)11-24-3;3-2(4,5)1(6)7/h4-7,14H,8-11H2,1-3H3;(H,6,7)
• InChIKey: UZZXUZNZYPKGQR-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 98.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.49
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?

The IUPAC name of 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid (CID 118744075) is 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?

The canonical SMILES for 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid is COCC1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1ccc(C)s1.O=C(O)C(F)(F)F.

What is the InChIKey of 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?

The InChIKey is UZZXUZNZYPKGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS.C2HF3O2/c1-12-4-5-15(25-12)9-22-10-16-17(13-6-18-21(2)7-13)19-20-23(16)8-14(22)11-24-3;3-2(4,5)1(6)7/h4-7,14H,8-11H2,1-3H3;(H,6,7).

What are the key properties of 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?

6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 472.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).