2-N-(3-fluorophenyl)-2-N-methyl-6-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine

C19H14F4N8O2 — CID 66803150

IUPAC2-N-(3-fluorophenyl)-2-N-methyl-6-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine
SMILESCN(c1cccc(F)c1)c1nc(N)nc(-c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)n1
InChIInChI=1S/C19H14F4N8O2/c1-31(12-4-2-3-11(20)7-12)18-28-14(27-17(24)29-18)15-26-16(33-30-15)10-5-6-13(25-8-10)32-9-19(21,22)23/h2-8H,9H2,1H3,(H2,24,27,28,29)
InChIKeyLKVFKZUVQJKILL-UHFFFAOYSA-N
MW462.37 g/mol
LogP3.41
Rot. Bonds6

About 2-N-(3-fluorophenyl)-2-N-methyl-6-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine

2-N-(3-fluorophenyl)-2-N-methyl-6-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 66803150) has the molecular formula C19H14F4N8O2 and a molecular weight of 462.37 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-2-N-methyl-6-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-2-N-methyl-6-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine
PubChem CID66803150
Molecular FormulaC19H14F4N8O2
Molecular Weight462.37 g/mol
Exact Mass462.12
IUPAC Name2-N-(3-fluorophenyl)-2-N-methyl-6-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine
SMILESCN(c1cccc(F)c1)c1nc(N)nc(-c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)n1
InChIInChI=1S/C19H14F4N8O2/c1-31(12-4-2-3-11(20)7-12)18-28-14(27-17(24)29-18)15-26-16(33-30-15)10-5-6-13(25-8-10)32-9-19(21,22)23/h2-8H,9H2,1H3,(H2,24,27,28,29)
InChIKeyLKVFKZUVQJKILL-UHFFFAOYSA-N
XLogP3.41
TPSA128.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-N-(3-fluorophenyl)-2-N-methyl-6-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine 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 2-N-(3-fluorophenyl)-2-N-methyl-6-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)-2-N-methyl-6-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine (CID 66803150) is 2-N-(3-fluorophenyl)-2-N-methyl-6-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)-2-N-methyl-6-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)-2-N-methyl-6-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine is CN(c1cccc(F)c1)c1nc(N)nc(-c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)n1.
What is the InChIKey of 2-N-(3-fluorophenyl)-2-N-methyl-6-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is LKVFKZUVQJKILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N8O2/c1-31(12-4-2-3-11(20)7-12)18-28-14(27-17(24)29-18)15-26-16(33-30-15)10-5-6-13(25-8-10)32-9-19(21,22)23/h2-8H,9H2,1H3,(H2,24,27,28,29).
What are the key properties of 2-N-(3-fluorophenyl)-2-N-methyl-6-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine?
2-N-(3-fluorophenyl)-2-N-methyl-6-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 462.37 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)-2-N-methyl-6-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66803150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).