(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]oxan-3-amine

C11H16F3N5O — CID 143583690

IUPAC(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]oxan-3-amine
SMILESN[C@@H]1COC[C@H](N2CCn3nc(C(F)(F)F)nc3C2)C1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)10-16-9-4-18(1-2-19(9)17-10)8-3-7(15)5-20-6-8/h7-8H,1-6,15H2/t7-,8+/m0/s1
InChIKeyCGEPQJMHQLQVER-JGVFFNPUSA-N
MW291.28 g/mol
LogP0.23
Rot. Bonds1

About (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]oxan-3-amine

(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]oxan-3-amine (PubChem CID 143583690) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]oxan-3-amine.

Molecular Properties

Compound Name(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]oxan-3-amine
PubChem CID143583690
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]oxan-3-amine
SMILESN[C@@H]1COC[C@H](N2CCn3nc(C(F)(F)F)nc3C2)C1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)10-16-9-4-18(1-2-19(9)17-10)8-3-7(15)5-20-6-8/h7-8H,1-6,15H2/t7-,8+/m0/s1
InChIKeyCGEPQJMHQLQVER-JGVFFNPUSA-N
XLogP0.23
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-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-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]oxan-3-amine?
The IUPAC name of (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]oxan-3-amine (CID 143583690) is (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]oxan-3-amine.
What is the SMILES notation for (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]oxan-3-amine?
The canonical SMILES for (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]oxan-3-amine is N[C@@H]1COC[C@H](N2CCn3nc(C(F)(F)F)nc3C2)C1.
What is the InChIKey of (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]oxan-3-amine?
The InChIKey is CGEPQJMHQLQVER-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H16F3N5O/c12-11(13,14)10-16-9-4-18(1-2-19(9)17-10)8-3-7(15)5-20-6-8/h7-8H,1-6,15H2/t7-,8+/m0/s1.
What are the key properties of (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]oxan-3-amine?
(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]oxan-3-amine has a molecular weight of 291.28 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]oxan-3-amine is sourced from PubChem (CID 143583690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).