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

C15H21F3N6O2 — CID 11952575

IUPAC1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(C[C@@H](N)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1
InChIInChI=1S/C15H21F3N6O2/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/h9-10H,2-8,19H2,1H3/t9?,10-/m0/s1
InChIKeyYZQUVRJMMYZZCK-AXDSSHIGSA-N
MW374.37 g/mol
LogP0.22
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]-4-methylpyrrolidin-2-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]-4-methylpyrrolidin-2-one (PubChem CID 11952575) has the molecular formula C15H21F3N6O2 and a molecular weight of 374.37 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]-4-methylpyrrolidin-2-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]-4-methylpyrrolidin-2-one
PubChem CID11952575
Molecular FormulaC15H21F3N6O2
Molecular Weight374.37 g/mol
Exact Mass374.17
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]-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(C[C@@H](N)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1
InChIInChI=1S/C15H21F3N6O2/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/h9-10H,2-8,19H2,1H3/t9?,10-/m0/s1
InChIKeyYZQUVRJMMYZZCK-AXDSSHIGSA-N
XLogP0.22
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-4-methylpyrrolidin-2-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]-4-methylpyrrolidin-2-one (CID 11952575) 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]-4-methylpyrrolidin-2-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]-4-methylpyrrolidin-2-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]-4-methylpyrrolidin-2-one is CC1CC(=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]-4-methylpyrrolidin-2-one?
The InChIKey is YZQUVRJMMYZZCK-AXDSSHIGSA-N. The full InChI is InChI=1S/C15H21F3N6O2/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/h9-10H,2-8,19H2,1H3/t9?,10-/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]-4-methylpyrrolidin-2-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]-4-methylpyrrolidin-2-one has a molecular weight of 374.37 g/mol, XLogP of 0.22, 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]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 11952575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).