6-phenyl-2-(2,2,2-trifluoroethoxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one

C19H10F6N4O2 — CID 171806725

IUPAC6-phenyl-2-(2,2,2-trifluoroethoxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1[nH]c(OCC(F)(F)F)nn2c(-c3cc(F)c(F)c(F)c3)c(-c3ccccc3)nc12
InChIInChI=1S/C19H10F6N4O2/c20-11-6-10(7-12(21)13(11)22)15-14(9-4-2-1-3-5-9)26-16-17(30)27-18(28-29(15)16)31-8-19(23,24)25/h1-7H,8H2,(H,27,28,30)
InChIKeyLJRWUQXAABPHHN-UHFFFAOYSA-N
MW440.30 g/mol
LogP4.11
Rot. Bonds4

About 6-phenyl-2-(2,2,2-trifluoroethoxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one

6-phenyl-2-(2,2,2-trifluoroethoxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one (PubChem CID 171806725) has the molecular formula C19H10F6N4O2 and a molecular weight of 440.30 g/mol. Its IUPAC name is 6-phenyl-2-(2,2,2-trifluoroethoxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name6-phenyl-2-(2,2,2-trifluoroethoxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one
PubChem CID171806725
Molecular FormulaC19H10F6N4O2
Molecular Weight440.30 g/mol
Exact Mass440.07
IUPAC Name6-phenyl-2-(2,2,2-trifluoroethoxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1[nH]c(OCC(F)(F)F)nn2c(-c3cc(F)c(F)c(F)c3)c(-c3ccccc3)nc12
InChIInChI=1S/C19H10F6N4O2/c20-11-6-10(7-12(21)13(11)22)15-14(9-4-2-1-3-5-9)26-16-17(30)27-18(28-29(15)16)31-8-19(23,24)25/h1-7H,8H2,(H,27,28,30)
InChIKeyLJRWUQXAABPHHN-UHFFFAOYSA-N
XLogP4.11
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.30
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 6-phenyl-2-(2,2,2-trifluoroethoxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one 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 6-phenyl-2-(2,2,2-trifluoroethoxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 6-phenyl-2-(2,2,2-trifluoroethoxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one (CID 171806725) is 6-phenyl-2-(2,2,2-trifluoroethoxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 6-phenyl-2-(2,2,2-trifluoroethoxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 6-phenyl-2-(2,2,2-trifluoroethoxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one is O=c1[nH]c(OCC(F)(F)F)nn2c(-c3cc(F)c(F)c(F)c3)c(-c3ccccc3)nc12.
What is the InChIKey of 6-phenyl-2-(2,2,2-trifluoroethoxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is LJRWUQXAABPHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F6N4O2/c20-11-6-10(7-12(21)13(11)22)15-14(9-4-2-1-3-5-9)26-16-17(30)27-18(28-29(15)16)31-8-19(23,24)25/h1-7H,8H2,(H,27,28,30).
What are the key properties of 6-phenyl-2-(2,2,2-trifluoroethoxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one?
6-phenyl-2-(2,2,2-trifluoroethoxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 440.30 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(2,2,2-trifluoroethoxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 171806725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).