6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone

C12H16F3N5O — CID 114908887

About 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone (PubChem CID 114908887) has the molecular formula C12H16F3N5O and a molecular weight of 303.29 g/mol. Its IUPAC name is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone.

Molecular Properties

• Compound Name: 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone
• PubChem CID: 114908887
• Molecular Formula: C12H16F3N5O
• Molecular Weight: 303.29 g/mol
• Exact Mass: 303.13
• IUPAC Name: 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone
• SMILES: O=C(C1CCC(C(F)(F)F)CN1)N1CCn2cnnc2C1
• InChI: InChI=1S/C12H16F3N5O/c13-12(14,15)8-1-2-9(16-5-8)11(21)19-3-4-20-7-17-18-10(20)6-19/h7-9,16H,1-6H2
• InChIKey: RZFKONLQRXDHNF-UHFFFAOYSA-N
• XLogP: 0.55
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.29
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone (CID 114908887) is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone.

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

The canonical SMILES for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone is O=C(C1CCC(C(F)(F)F)CN1)N1CCn2cnnc2C1.

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

The InChIKey is RZFKONLQRXDHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O/c13-12(14,15)8-1-2-9(16-5-8)11(21)19-3-4-20-7-17-18-10(20)6-19/h7-9,16H,1-6H2.

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

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone has a molecular weight of 303.29 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone is sourced from PubChem (CID 114908887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).