7-[(5-chloropyrazin-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C11H10ClF3N6 — CID 103054313

About 7-[(5-chloropyrazin-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[(5-chloropyrazin-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 103054313) has the molecular formula C11H10ClF3N6 and a molecular weight of 318.69 g/mol. Its IUPAC name is 7-[(5-chloropyrazin-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: 7-[(5-chloropyrazin-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 103054313
• Molecular Formula: C11H10ClF3N6
• Molecular Weight: 318.69 g/mol
• Exact Mass: 318.06
• IUPAC Name: 7-[(5-chloropyrazin-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: FC(F)(F)c1nnc2n1CCN(Cc1cnc(Cl)cn1)C2
• InChI: InChI=1S/C11H10ClF3N6/c12-8-4-16-7(3-17-8)5-20-1-2-21-9(6-20)18-19-10(21)11(13,14)15/h3-4H,1-2,5-6H2
• InChIKey: IXHVGFKDRKMJNP-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 59.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.69
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[(5-chloropyrazin-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?

The IUPAC name of 7-[(5-chloropyrazin-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 103054313) is 7-[(5-chloropyrazin-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

What is the SMILES notation for 7-[(5-chloropyrazin-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?

The canonical SMILES for 7-[(5-chloropyrazin-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)(F)c1nnc2n1CCN(Cc1cnc(Cl)cn1)C2.

What is the InChIKey of 7-[(5-chloropyrazin-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?

The InChIKey is IXHVGFKDRKMJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N6/c12-8-4-16-7(3-17-8)5-20-1-2-21-9(6-20)18-19-10(21)11(13,14)15/h3-4H,1-2,5-6H2.

What are the key properties of 7-[(5-chloropyrazin-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?

7-[(5-chloropyrazin-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 318.69 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(5-chloropyrazin-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 103054313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).