7-(trifluoromethyl)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione

C11H5F3N4O2 — CID 18697782

IUPAC7-(trifluoromethyl)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2c(=O)c2n[nH]nc12
InChIInChI=1S/C11H5F3N4O2/c12-11(13,14)4-1-2-5-6(3-4)15-10(20)8-7(9(5)19)16-18-17-8/h1-3H,(H,15,20)(H,16,17,18)
InChIKeyAYGBLIULKRRQTN-UHFFFAOYSA-N
MW282.18 g/mol
LogP1.18
Rot. Bonds

About 7-(trifluoromethyl)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione

7-(trifluoromethyl)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione (PubChem CID 18697782) has the molecular formula C11H5F3N4O2 and a molecular weight of 282.18 g/mol. Its IUPAC name is 7-(trifluoromethyl)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione.

Molecular Properties

Compound Name7-(trifluoromethyl)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
PubChem CID18697782
Molecular FormulaC11H5F3N4O2
Molecular Weight282.18 g/mol
Exact Mass282.04
IUPAC Name7-(trifluoromethyl)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2c(=O)c2n[nH]nc12
InChIInChI=1S/C11H5F3N4O2/c12-11(13,14)4-1-2-5-6(3-4)15-10(20)8-7(9(5)19)16-18-17-8/h1-3H,(H,15,20)(H,16,17,18)
InChIKeyAYGBLIULKRRQTN-UHFFFAOYSA-N
XLogP1.18
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(trifluoromethyl)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione 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 7-(trifluoromethyl)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione?
The IUPAC name of 7-(trifluoromethyl)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione (CID 18697782) is 7-(trifluoromethyl)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione.
What is the SMILES notation for 7-(trifluoromethyl)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione?
The canonical SMILES for 7-(trifluoromethyl)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione is O=c1[nH]c2cc(C(F)(F)F)ccc2c(=O)c2n[nH]nc12.
What is the InChIKey of 7-(trifluoromethyl)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione?
The InChIKey is AYGBLIULKRRQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N4O2/c12-11(13,14)4-1-2-5-6(3-4)15-10(20)8-7(9(5)19)16-18-17-8/h1-3H,(H,15,20)(H,16,17,18).
What are the key properties of 7-(trifluoromethyl)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione?
7-(trifluoromethyl)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione has a molecular weight of 282.18 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione is sourced from PubChem (CID 18697782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).