(10R)-5-(trifluoromethyl)-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene

C11H13F3N4 — CID 164854769

IUPAC(10R)-5-(trifluoromethyl)-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
SMILESFC(F)(F)c1cnc2c(c1)NC[C@H]1CNCCN21
InChIInChI=1S/C11H13F3N4/c12-11(13,14)7-3-9-10(17-4-7)18-2-1-15-5-8(18)6-16-9/h3-4,8,15-16H,1-2,5-6H2/t8-/m1/s1
InChIKeyBUPCUHANHJTNQL-MRVPVSSYSA-N
MW258.25 g/mol
LogP1.30
Rot. Bonds

About (10R)-5-(trifluoromethyl)-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene

(10R)-5-(trifluoromethyl)-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene (PubChem CID 164854769) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is (10R)-5-(trifluoromethyl)-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene.

Molecular Properties

Compound Name(10R)-5-(trifluoromethyl)-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
PubChem CID164854769
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name(10R)-5-(trifluoromethyl)-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
SMILESFC(F)(F)c1cnc2c(c1)NC[C@H]1CNCCN21
InChIInChI=1S/C11H13F3N4/c12-11(13,14)7-3-9-10(17-4-7)18-2-1-15-5-8(18)6-16-9/h3-4,8,15-16H,1-2,5-6H2/t8-/m1/s1
InChIKeyBUPCUHANHJTNQL-MRVPVSSYSA-N
XLogP1.30
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (10R)-5-(trifluoromethyl)-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene 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 (10R)-5-(trifluoromethyl)-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
The IUPAC name of (10R)-5-(trifluoromethyl)-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene (CID 164854769) is (10R)-5-(trifluoromethyl)-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene.
What is the SMILES notation for (10R)-5-(trifluoromethyl)-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
The canonical SMILES for (10R)-5-(trifluoromethyl)-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene is FC(F)(F)c1cnc2c(c1)NC[C@H]1CNCCN21.
What is the InChIKey of (10R)-5-(trifluoromethyl)-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
The InChIKey is BUPCUHANHJTNQL-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13F3N4/c12-11(13,14)7-3-9-10(17-4-7)18-2-1-15-5-8(18)6-16-9/h3-4,8,15-16H,1-2,5-6H2/t8-/m1/s1.
What are the key properties of (10R)-5-(trifluoromethyl)-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
(10R)-5-(trifluoromethyl)-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene has a molecular weight of 258.25 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-5-(trifluoromethyl)-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene is sourced from PubChem (CID 164854769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).