6-(difluoromethyl)-2-(1,1-difluoropropan-2-yloxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one

C15H9F7N4O2 — CID 171807179

IUPAC6-(difluoromethyl)-2-(1,1-difluoropropan-2-yloxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one
SMILESCC(Oc1nn2c(-c3cc(F)c(F)c(F)c3)c(C(F)F)nc2c(=O)[nH]1)C(F)F
InChIInChI=1S/C15H9F7N4O2/c1-4(11(19)20)28-15-24-14(27)13-23-9(12(21)22)10(26(13)25-15)5-2-6(16)8(18)7(17)3-5/h2-4,11-12H,1H3,(H,24,25,27)
InChIKeyPXZHEUOLBAYBDX-UHFFFAOYSA-N
MW410.25 g/mol
LogP3.47
Rot. Bonds5

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

6-(difluoromethyl)-2-(1,1-difluoropropan-2-yloxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one (PubChem CID 171807179) has the molecular formula C15H9F7N4O2 and a molecular weight of 410.25 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-(1,1-difluoropropan-2-yloxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-2-(1,1-difluoropropan-2-yloxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one
PubChem CID171807179
Molecular FormulaC15H9F7N4O2
Molecular Weight410.25 g/mol
Exact Mass410.06
IUPAC Name6-(difluoromethyl)-2-(1,1-difluoropropan-2-yloxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one
SMILESCC(Oc1nn2c(-c3cc(F)c(F)c(F)c3)c(C(F)F)nc2c(=O)[nH]1)C(F)F
InChIInChI=1S/C15H9F7N4O2/c1-4(11(19)20)28-15-24-14(27)13-23-9(12(21)22)10(26(13)25-15)5-2-6(16)8(18)7(17)3-5/h2-4,11-12H,1H3,(H,24,25,27)
InChIKeyPXZHEUOLBAYBDX-UHFFFAOYSA-N
XLogP3.47
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.25
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(difluoromethyl)-2-(1,1-difluoropropan-2-yloxy)-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-(difluoromethyl)-2-(1,1-difluoropropan-2-yloxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 6-(difluoromethyl)-2-(1,1-difluoropropan-2-yloxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one (CID 171807179) is 6-(difluoromethyl)-2-(1,1-difluoropropan-2-yloxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-2-(1,1-difluoropropan-2-yloxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 6-(difluoromethyl)-2-(1,1-difluoropropan-2-yloxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one is CC(Oc1nn2c(-c3cc(F)c(F)c(F)c3)c(C(F)F)nc2c(=O)[nH]1)C(F)F.
What is the InChIKey of 6-(difluoromethyl)-2-(1,1-difluoropropan-2-yloxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is PXZHEUOLBAYBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F7N4O2/c1-4(11(19)20)28-15-24-14(27)13-23-9(12(21)22)10(26(13)25-15)5-2-6(16)8(18)7(17)3-5/h2-4,11-12H,1H3,(H,24,25,27).
What are the key properties of 6-(difluoromethyl)-2-(1,1-difluoropropan-2-yloxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one?
6-(difluoromethyl)-2-(1,1-difluoropropan-2-yloxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 410.25 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-(1,1-difluoropropan-2-yloxy)-7-(3,4,5-trifluorophenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 171807179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).