3-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5-methyl-1,3-oxazolidin-2-one

C14H19F3N6O3 — CID 11952573

IUPAC3-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(C[C@@H](N)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C(=O)O1
InChIInChI=1S/C14H19F3N6O3/c1-8-5-22(13(25)26-8)6-9(18)4-11(24)21-2-3-23-10(7-21)19-20-12(23)14(15,16)17/h8-9H,2-7,18H2,1H3/t8?,9-/m0/s1
InChIKeyXESKQNBONCHZON-GKAPJAKFSA-N
MW376.34 g/mol
LogP0.20
Rot. Bonds4

About 3-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5-methyl-1,3-oxazolidin-2-one

3-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 11952573) has the molecular formula C14H19F3N6O3 and a molecular weight of 376.34 g/mol. Its IUPAC name is 3-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID11952573
Molecular FormulaC14H19F3N6O3
Molecular Weight376.34 g/mol
Exact Mass376.15
IUPAC Name3-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(C[C@@H](N)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C(=O)O1
InChIInChI=1S/C14H19F3N6O3/c1-8-5-22(13(25)26-8)6-9(18)4-11(24)21-2-3-23-10(7-21)19-20-12(23)14(15,16)17/h8-9H,2-7,18H2,1H3/t8?,9-/m0/s1
InChIKeyXESKQNBONCHZON-GKAPJAKFSA-N
XLogP0.20
TPSA106.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5-methyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5-methyl-1,3-oxazolidin-2-one (CID 11952573) is 3-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5-methyl-1,3-oxazolidin-2-one is CC1CN(C[C@@H](N)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C(=O)O1.
What is the InChIKey of 3-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is XESKQNBONCHZON-GKAPJAKFSA-N. The full InChI is InChI=1S/C14H19F3N6O3/c1-8-5-22(13(25)26-8)6-9(18)4-11(24)21-2-3-23-10(7-21)19-20-12(23)14(15,16)17/h8-9H,2-7,18H2,1H3/t8?,9-/m0/s1.
What are the key properties of 3-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5-methyl-1,3-oxazolidin-2-one?
3-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 376.34 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11952573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).