1-[1-(aminomethyl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]-4-methylpyrrolidin-2-one;uranium

C18H27F3N6OU2 — CID 158474746

About 1-[1-(aminomethyl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]-4-methylpyrrolidin-2-one;uranium

1-[1-(aminomethyl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]-4-methylpyrrolidin-2-one;uranium (PubChem CID 158474746) has the molecular formula C18H27F3N6OU2 and a molecular weight of 876.51 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]-4-methylpyrrolidin-2-one;uranium.

Molecular Properties

• Compound Name: 1-[1-(aminomethyl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]-4-methylpyrrolidin-2-one;uranium
• PubChem CID: 158474746
• Molecular Formula: C18H27F3N6OU2
• Molecular Weight: 876.51 g/mol
• Exact Mass: 876.32
• IUPAC Name: 1-[1-(aminomethyl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]-4-methylpyrrolidin-2-one;uranium
• SMILES: CC1CC(=O)N(C2(CN)CCC(N3CCn4c(nnc4C(F)(F)F)C3)CC2)C1.[U].[U]
• InChI: InChI=1S/C18H27F3N6O.2U/c1-12-8-15(28)27(9-12)17(11-22)4-2-13(3-5-17)25-6-7-26-14(10-25)23-24-16(26)18(19,20)21;;/h12-13H,2-11,22H2,1H3
• InChIKey: HGUIJAJSUXPIPC-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 80.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	876.51
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]-4-methylpyrrolidin-2-one;uranium?

The IUPAC name of 1-[1-(aminomethyl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]-4-methylpyrrolidin-2-one;uranium (CID 158474746) is 1-[1-(aminomethyl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]-4-methylpyrrolidin-2-one;uranium.

What is the SMILES notation for 1-[1-(aminomethyl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]-4-methylpyrrolidin-2-one;uranium?

The canonical SMILES for 1-[1-(aminomethyl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]-4-methylpyrrolidin-2-one;uranium is CC1CC(=O)N(C2(CN)CCC(N3CCn4c(nnc4C(F)(F)F)C3)CC2)C1.[U].[U].

What is the InChIKey of 1-[1-(aminomethyl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]-4-methylpyrrolidin-2-one;uranium?

The InChIKey is HGUIJAJSUXPIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N6O.2U/c1-12-8-15(28)27(9-12)17(11-22)4-2-13(3-5-17)25-6-7-26-14(10-25)23-24-16(26)18(19,20)21;;/h12-13H,2-11,22H2,1H3;;.

What are the key properties of 1-[1-(aminomethyl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]-4-methylpyrrolidin-2-one;uranium?

1-[1-(aminomethyl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]-4-methylpyrrolidin-2-one;uranium has a molecular weight of 876.51 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(aminomethyl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]-4-methylpyrrolidin-2-one;uranium is sourced from PubChem (CID 158474746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).