2-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C10H14F3N3O2 — CID 79940715

IUPAC2-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESNCC(N1CC(=O)N2CCCC2C1=O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)7(4-14)16-5-8(17)15-3-1-2-6(15)9(16)18/h6-7H,1-5,14H2
InChIKeyFSVPJBQQYYQJAJ-UHFFFAOYSA-N
MW265.23 g/mol
LogP-0.29
Rot. Bonds2

About 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

2-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 79940715) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID79940715
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name2-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESNCC(N1CC(=O)N2CCCC2C1=O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)7(4-14)16-5-8(17)15-3-1-2-6(15)9(16)18/h6-7H,1-5,14H2
InChIKeyFSVPJBQQYYQJAJ-UHFFFAOYSA-N
XLogP-0.29
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dicyclopropylmethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944771
2-pentan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944595
2-hex-1-yn-3-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 114160618
2-pentan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79930203
2-[(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)methyl]-3,3,3-trifluoropropanenitrile
CID 103368168
2-(2-amino-2-cyclopropylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79941088
2-octan-4-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 106027624
2-[1-(3-fluorophenyl)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944485
2-[(2R)-2-hydroxypropyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 103935423
3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide
CID 79938669
2-(2-hydroxyethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 115825034
2-phenyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944954

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 79940715) is 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is NCC(N1CC(=O)N2CCCC2C1=O)C(F)(F)F.
What is the InChIKey of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is FSVPJBQQYYQJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c11-10(12,13)7(4-14)16-5-8(17)15-3-1-2-6(15)9(16)18/h6-7H,1-5,14H2.
What are the key properties of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 265.23 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79940715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).