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

C15H19F3N6O2 — CID 11952626

IUPAC1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-methyl-2H-pyrrol-5-one
SMILESCC1=CC(=O)N(C[C@@H](N)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1
InChIInChI=1S/C15H19F3N6O2/c1-9-4-12(25)23(6-9)7-10(19)5-13(26)22-2-3-24-11(8-22)20-21-14(24)15(16,17)18/h4,10H,2-3,5-8,19H2,1H3/t10-/m0/s1
InChIKeyLAOMGHHKGBBLDP-JTQLQIEISA-N
MW372.35 g/mol
LogP0.14
Rot. Bonds4

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

1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-methyl-2H-pyrrol-5-one (PubChem CID 11952626) has the molecular formula C15H19F3N6O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-methyl-2H-pyrrol-5-one
PubChem CID11952626
Molecular FormulaC15H19F3N6O2
Molecular Weight372.35 g/mol
Exact Mass372.15
IUPAC Name1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-methyl-2H-pyrrol-5-one
SMILESCC1=CC(=O)N(C[C@@H](N)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1
InChIInChI=1S/C15H19F3N6O2/c1-9-4-12(25)23(6-9)7-10(19)5-13(26)22-2-3-24-11(8-22)20-21-14(24)15(16,17)18/h4,10H,2-3,5-8,19H2,1H3/t10-/m0/s1
InChIKeyLAOMGHHKGBBLDP-JTQLQIEISA-N
XLogP0.14
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-methyl-2H-pyrrol-5-one?
The IUPAC name of 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-methyl-2H-pyrrol-5-one (CID 11952626) is 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-methyl-2H-pyrrol-5-one?
The canonical SMILES for 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-methyl-2H-pyrrol-5-one is CC1=CC(=O)N(C[C@@H](N)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1.
What is the InChIKey of 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-methyl-2H-pyrrol-5-one?
The InChIKey is LAOMGHHKGBBLDP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19F3N6O2/c1-9-4-12(25)23(6-9)7-10(19)5-13(26)22-2-3-24-11(8-22)20-21-14(24)15(16,17)18/h4,10H,2-3,5-8,19H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-methyl-2H-pyrrol-5-one?
1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-methyl-2H-pyrrol-5-one has a molecular weight of 372.35 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 11952626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).