(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]oxan-3-amine

C12H17F3N4O — CID 143583686

IUPAC(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]oxan-3-amine
SMILESN[C@@H]1COC[C@H](N2CCn3cc(C(F)(F)F)nc3C2)C1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)10-4-19-2-1-18(5-11(19)17-10)9-3-8(16)6-20-7-9/h4,8-9H,1-3,5-7,16H2/t8-,9+/m0/s1
InChIKeyFLMXFJJFVTUDQC-DTWKUNHWSA-N
MW290.29 g/mol
LogP0.83
Rot. Bonds1

About (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]oxan-3-amine

(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]oxan-3-amine (PubChem CID 143583686) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]oxan-3-amine.

Molecular Properties

Compound Name(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]oxan-3-amine
PubChem CID143583686
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]oxan-3-amine
SMILESN[C@@H]1COC[C@H](N2CCn3cc(C(F)(F)F)nc3C2)C1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)10-4-19-2-1-18(5-11(19)17-10)9-3-8(16)6-20-7-9/h4,8-9H,1-3,5-7,16H2/t8-,9+/m0/s1
InChIKeyFLMXFJJFVTUDQC-DTWKUNHWSA-N
XLogP0.83
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]oxan-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]oxan-3-amine?
The IUPAC name of (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]oxan-3-amine (CID 143583686) is (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]oxan-3-amine.
What is the SMILES notation for (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]oxan-3-amine?
The canonical SMILES for (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]oxan-3-amine is N[C@@H]1COC[C@H](N2CCn3cc(C(F)(F)F)nc3C2)C1.
What is the InChIKey of (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]oxan-3-amine?
The InChIKey is FLMXFJJFVTUDQC-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)10-4-19-2-1-18(5-11(19)17-10)9-3-8(16)6-20-7-9/h4,8-9H,1-3,5-7,16H2/t8-,9+/m0/s1.
What are the key properties of (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]oxan-3-amine?
(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]oxan-3-amine has a molecular weight of 290.29 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]oxan-3-amine is sourced from PubChem (CID 143583686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).