3-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine

C17H19F3N10O — CID 141376161

About 3-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine

3-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine (PubChem CID 141376161) has the molecular formula C17H19F3N10O and a molecular weight of 436.40 g/mol. Its IUPAC name is 3-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 3-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine
• PubChem CID: 141376161
• Molecular Formula: C17H19F3N10O
• Molecular Weight: 436.40 g/mol
• Exact Mass: 436.17
• IUPAC Name: 3-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine
• SMILES: FC(F)(F)c1nnc2n1C(c1onc3c1CCNC3)(c1nnc3n1CCNC3)CNC2
• InChI: InChI=1S/C17H19F3N10O/c18-17(19,20)15-27-25-12-7-23-8-16(30(12)15,13-9-1-2-21-5-10(9)28-31-13)14-26-24-11-6-22-3-4-29(11)14/h21-23H,1-8H2
• InChIKey: MENZDXMLYAFMNW-UHFFFAOYSA-N
• XLogP: -0.48
• TPSA: 123.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.40
LogP ≤ 5	-0.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine?

The IUPAC name of 3-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine (CID 141376161) is 3-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine.

What is the SMILES notation for 3-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine?

The canonical SMILES for 3-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine is FC(F)(F)c1nnc2n1C(c1onc3c1CCNC3)(c1nnc3n1CCNC3)CNC2.

What is the InChIKey of 3-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine?

The InChIKey is MENZDXMLYAFMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N10O/c18-17(19,20)15-27-25-12-7-23-8-16(30(12)15,13-9-1-2-21-5-10(9)28-31-13)14-26-24-11-6-22-3-4-29(11)14/h21-23H,1-8H2.

What are the key properties of 3-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine?

3-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine has a molecular weight of 436.40 g/mol, XLogP of -0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine is sourced from PubChem (CID 141376161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).