10-(trifluoromethyl)-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene

C10H10F3N3 — CID 141414394

IUPAC10-(trifluoromethyl)-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene
SMILESFC(F)(F)c1ncc2c(n1)CC1CNCC21
InChIInChI=1S/C10H10F3N3/c11-10(12,13)9-15-4-7-6-3-14-2-5(6)1-8(7)16-9/h4-6,14H,1-3H2
InChIKeyFSNDOEQLMBODAA-UHFFFAOYSA-N
MW229.20 g/mol
LogP1.35
Rot. Bonds

About 10-(trifluoromethyl)-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene

10-(trifluoromethyl)-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene (PubChem CID 141414394) has the molecular formula C10H10F3N3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 10-(trifluoromethyl)-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene.

Molecular Properties

Compound Name10-(trifluoromethyl)-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene
PubChem CID141414394
Molecular FormulaC10H10F3N3
Molecular Weight229.20 g/mol
Exact Mass229.08
IUPAC Name10-(trifluoromethyl)-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene
SMILESFC(F)(F)c1ncc2c(n1)CC1CNCC21
InChIInChI=1S/C10H10F3N3/c11-10(12,13)9-15-4-7-6-3-14-2-5(6)1-8(7)16-9/h4-6,14H,1-3H2
InChIKeyFSNDOEQLMBODAA-UHFFFAOYSA-N
XLogP1.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-(trifluoromethyl)-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-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 10-(trifluoromethyl)-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene?
The IUPAC name of 10-(trifluoromethyl)-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene (CID 141414394) is 10-(trifluoromethyl)-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene.
What is the SMILES notation for 10-(trifluoromethyl)-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene?
The canonical SMILES for 10-(trifluoromethyl)-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene is FC(F)(F)c1ncc2c(n1)CC1CNCC21.
What is the InChIKey of 10-(trifluoromethyl)-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene?
The InChIKey is FSNDOEQLMBODAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c11-10(12,13)9-15-4-7-6-3-14-2-5(6)1-8(7)16-9/h4-6,14H,1-3H2.
What are the key properties of 10-(trifluoromethyl)-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene?
10-(trifluoromethyl)-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene has a molecular weight of 229.20 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(trifluoromethyl)-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene is sourced from PubChem (CID 141414394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).