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

C15H21F3N6O3 — CID 11952680

IUPAC4-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-6-methylmorpholin-3-one
SMILESCC1CN(C[C@@H](N)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C(=O)CO1
InChIInChI=1S/C15H21F3N6O3/c1-9-5-23(13(26)8-27-9)6-10(19)4-12(25)22-2-3-24-11(7-22)20-21-14(24)15(16,17)18/h9-10H,2-8,19H2,1H3/t9?,10-/m0/s1
InChIKeyDASWVISTCFTOIS-AXDSSHIGSA-N
MW390.37 g/mol
LogP-0.40
Rot. Bonds4

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

4-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-6-methylmorpholin-3-one (PubChem CID 11952680) has the molecular formula C15H21F3N6O3 and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-6-methylmorpholin-3-one.

Molecular Properties

Compound Name4-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-6-methylmorpholin-3-one
PubChem CID11952680
Molecular FormulaC15H21F3N6O3
Molecular Weight390.37 g/mol
Exact Mass390.16
IUPAC Name4-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-6-methylmorpholin-3-one
SMILESCC1CN(C[C@@H](N)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C(=O)CO1
InChIInChI=1S/C15H21F3N6O3/c1-9-5-23(13(26)8-27-9)6-10(19)4-12(25)22-2-3-24-11(7-22)20-21-14(24)15(16,17)18/h9-10H,2-8,19H2,1H3/t9?,10-/m0/s1
InChIKeyDASWVISTCFTOIS-AXDSSHIGSA-N
XLogP-0.40
TPSA106.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-6-methylmorpholin-3-one?
The IUPAC name of 4-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-6-methylmorpholin-3-one (CID 11952680) is 4-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-6-methylmorpholin-3-one.
What is the SMILES notation for 4-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-6-methylmorpholin-3-one?
The canonical SMILES for 4-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-6-methylmorpholin-3-one is CC1CN(C[C@@H](N)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C(=O)CO1.
What is the InChIKey of 4-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-6-methylmorpholin-3-one?
The InChIKey is DASWVISTCFTOIS-AXDSSHIGSA-N. The full InChI is InChI=1S/C15H21F3N6O3/c1-9-5-23(13(26)8-27-9)6-10(19)4-12(25)22-2-3-24-11(7-22)20-21-14(24)15(16,17)18/h9-10H,2-8,19H2,1H3/t9?,10-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-6-methylmorpholin-3-one?
4-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-6-methylmorpholin-3-one has a molecular weight of 390.37 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-6-methylmorpholin-3-one is sourced from PubChem (CID 11952680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).