2-N-(2,5-difluorophenyl)-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

C19H13F5N8O2 — CID 66807460

IUPAC2-N-(2,5-difluorophenyl)-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(c1nc(N)nc(-c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)n1)c1cc(F)ccc1F
InChIInChI=1S/C19H13F5N8O2/c1-32(12-6-10(20)3-4-11(12)21)18-29-14(28-17(25)30-18)15-27-16(34-31-15)9-2-5-13(26-7-9)33-8-19(22,23)24/h2-7H,8H2,1H3,(H2,25,28,29,30)
InChIKeyWOFKTKQJRVUHNQ-UHFFFAOYSA-N
MW480.36 g/mol
LogP3.55
Rot. Bonds6

About 2-N-(2,5-difluorophenyl)-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-(2,5-difluorophenyl)-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 66807460) has the molecular formula C19H13F5N8O2 and a molecular weight of 480.36 g/mol. Its IUPAC name is 2-N-(2,5-difluorophenyl)-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-(2,5-difluorophenyl)-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 CID66807460
Molecular FormulaC19H13F5N8O2
Molecular Weight480.36 g/mol
Exact Mass480.11
IUPAC Name2-N-(2,5-difluorophenyl)-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(c1nc(N)nc(-c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)n1)c1cc(F)ccc1F
InChIInChI=1S/C19H13F5N8O2/c1-32(12-6-10(20)3-4-11(12)21)18-29-14(28-17(25)30-18)15-27-16(34-31-15)9-2-5-13(26-7-9)33-8-19(22,23)24/h2-7H,8H2,1H3,(H2,25,28,29,30)
InChIKeyWOFKTKQJRVUHNQ-UHFFFAOYSA-N
XLogP3.55
TPSA128.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-N-(2,5-difluorophenyl)-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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-difluorophenyl)-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-(2,5-difluorophenyl)-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 66807460) is 2-N-(2,5-difluorophenyl)-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-(2,5-difluorophenyl)-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-(2,5-difluorophenyl)-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(c1nc(N)nc(-c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)n1)c1cc(F)ccc1F.
What is the InChIKey of 2-N-(2,5-difluorophenyl)-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 WOFKTKQJRVUHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N8O2/c1-32(12-6-10(20)3-4-11(12)21)18-29-14(28-17(25)30-18)15-27-16(34-31-15)9-2-5-13(26-7-9)33-8-19(22,23)24/h2-7H,8H2,1H3,(H2,25,28,29,30).
What are the key properties of 2-N-(2,5-difluorophenyl)-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-(2,5-difluorophenyl)-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 480.36 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-difluorophenyl)-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 66807460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).