5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyridin-3-amine

C11H10F4N6O2S — CID 167202598

About 5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyridin-3-amine

5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyridin-3-amine (PubChem CID 167202598) has the molecular formula C11H10F4N6O2S and a molecular weight of 366.30 g/mol. Its IUPAC name is 5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: 5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyridin-3-amine
• PubChem CID: 167202598
• Molecular Formula: C11H10F4N6O2S
• Molecular Weight: 366.30 g/mol
• Exact Mass: 366.05
• IUPAC Name: 5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyridin-3-amine
• SMILES: Nc1cnc(-c2nc3n(n2)CCN(S(=O)(=O)C(F)(F)F)C3)c(F)c1
• InChI: InChI=1S/C11H10F4N6O2S/c12-7-3-6(16)4-17-9(7)10-18-8-5-20(1-2-21(8)19-10)24(22,23)11(13,14)15/h3-4H,1-2,5,16H2
• InChIKey: JNTIQAVYPNLENK-UHFFFAOYSA-N
• XLogP: 0.73
• TPSA: 107.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.30
LogP ≤ 5	0.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyridin-3-amine?

The IUPAC name of 5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyridin-3-amine (CID 167202598) is 5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyridin-3-amine.

What is the SMILES notation for 5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyridin-3-amine?

The canonical SMILES for 5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyridin-3-amine is Nc1cnc(-c2nc3n(n2)CCN(S(=O)(=O)C(F)(F)F)C3)c(F)c1.

What is the InChIKey of 5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyridin-3-amine?

The InChIKey is JNTIQAVYPNLENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N6O2S/c12-7-3-6(16)4-17-9(7)10-18-8-5-20(1-2-21(8)19-10)24(22,23)11(13,14)15/h3-4H,1-2,5,16H2.

What are the key properties of 5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyridin-3-amine?

5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyridin-3-amine has a molecular weight of 366.30 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyridin-3-amine is sourced from PubChem (CID 167202598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).