3-phenyl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine

C9H7F3N4 — CID 24974297

IUPAC3-phenyl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine
SMILESFC(F)(F)C1=NNC(c2ccccc2)=NN1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)8-15-13-7(14-16-8)6-4-2-1-3-5-6/h1-5H,(H,13,14)(H,15,16)
InChIKeyAHKGGSBHPZCJJB-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.42
Rot. Bonds1

About 3-phenyl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine

3-phenyl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine (PubChem CID 24974297) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 3-phenyl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-phenyl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine
PubChem CID24974297
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name3-phenyl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine
SMILESFC(F)(F)C1=NNC(c2ccccc2)=NN1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)8-15-13-7(14-16-8)6-4-2-1-3-5-6/h1-5H,(H,13,14)(H,15,16)
InChIKeyAHKGGSBHPZCJJB-UHFFFAOYSA-N
XLogP1.42
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine 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 3-phenyl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine?
The IUPAC name of 3-phenyl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine (CID 24974297) is 3-phenyl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine.
What is the SMILES notation for 3-phenyl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine?
The canonical SMILES for 3-phenyl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine is FC(F)(F)C1=NNC(c2ccccc2)=NN1.
What is the InChIKey of 3-phenyl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine?
The InChIKey is AHKGGSBHPZCJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c10-9(11,12)8-15-13-7(14-16-8)6-4-2-1-3-5-6/h1-5H,(H,13,14)(H,15,16).
What are the key properties of 3-phenyl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine?
3-phenyl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine has a molecular weight of 228.18 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine is sourced from PubChem (CID 24974297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).