6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine;2-N-methyl-2-N-phenyl-6-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine

C36H34F3N15O2 — CID 157467369

IUPAC6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine;2-N-methyl-2-N-phenyl-6-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine
SMILESCN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(C(F)(F)F)nc3)n2)n1.CN(c1ccccc1)c1nc(N)nc(-c2noc(C3CCCCC3)n2)n1
InChIInChI=1S/C18H13F3N8O.C18H21N7O/c1-29(11-5-3-2-4-6-11)17-26-13(25-16(22)27-17)14-24-15(30-28-14)10-7-8-12(23-9-10)18(19,20)21;1-25(13-10-6-3-7-11-13)18-22-14(21-17(19)23-18)15-20-16(26-24-15)12-8-4-2-5-9-12/h2-9H,1H3,(H2,22,25,26,27);3,6-7,10-12H,2,4-5,8-9H2,1H3,(H2,19,21,22,23)
InChIKeyBUQGBUDOJDRXQP-UHFFFAOYSA-N
MW765.77 g/mol
LogP6.67
Rot. Bonds8

About 6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine;2-N-methyl-2-N-phenyl-6-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine

6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine;2-N-methyl-2-N-phenyl-6-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 157467369) has the molecular formula C36H34F3N15O2 and a molecular weight of 765.77 g/mol. Its IUPAC name is 6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine;2-N-methyl-2-N-phenyl-6-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine;2-N-methyl-2-N-phenyl-6-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine
PubChem CID157467369
Molecular FormulaC36H34F3N15O2
Molecular Weight765.77 g/mol
Exact Mass765.30
IUPAC Name6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine;2-N-methyl-2-N-phenyl-6-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine
SMILESCN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(C(F)(F)F)nc3)n2)n1.CN(c1ccccc1)c1nc(N)nc(-c2noc(C3CCCCC3)n2)n1
InChIInChI=1S/C18H13F3N8O.C18H21N7O/c1-29(11-5-3-2-4-6-11)17-26-13(25-16(22)27-17)14-24-15(30-28-14)10-7-8-12(23-9-10)18(19,20)21;1-25(13-10-6-3-7-11-13)18-22-14(21-17(19)23-18)15-20-16(26-24-15)12-8-4-2-5-9-12/h2-9H,1H3,(H2,22,25,26,27);3,6-7,10-12H,2,4-5,8-9H2,1H3,(H2,19,21,22,23)
InChIKeyBUQGBUDOJDRXQP-UHFFFAOYSA-N
XLogP6.67
TPSA226.59 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500765.77
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine;2-N-methyl-2-N-phenyl-6-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

Risvodetinib
CID 122650693
5-oxo-1-(pyridin-3-ylmethyl)-N-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidine-3-carboxamide
CID 165117348
(2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 56944327
5-[5-[1-[5-(6-Methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56945000
5-[5-[1-[5-[2-(Trifluoromethyl)pyridin-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]pyridin-2-yl]pyrimidin-2-amine
CID 66828312
5-[5-[1-[5-(6-Pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 66828364
1-[4-[5-[3-[1-[6-(2-Aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 72837054
US11306078, Example 1.156a
CID 138676273
N-[4-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 165117353
N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 165117376
N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 165117378
US10894784, Example 101.26
CID 129245469

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine;2-N-methyl-2-N-phenyl-6-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine;2-N-methyl-2-N-phenyl-6-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine (CID 157467369) is 6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine;2-N-methyl-2-N-phenyl-6-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine;2-N-methyl-2-N-phenyl-6-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine;2-N-methyl-2-N-phenyl-6-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine is CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(C(F)(F)F)nc3)n2)n1.CN(c1ccccc1)c1nc(N)nc(-c2noc(C3CCCCC3)n2)n1.
What is the InChIKey of 6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine;2-N-methyl-2-N-phenyl-6-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is BUQGBUDOJDRXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N8O.C18H21N7O/c1-29(11-5-3-2-4-6-11)17-26-13(25-16(22)27-17)14-24-15(30-28-14)10-7-8-12(23-9-10)18(19,20)21;1-25(13-10-6-3-7-11-13)18-22-14(21-17(19)23-18)15-20-16(26-24-15)12-8-4-2-5-9-12/h2-9H,1H3,(H2,22,25,26,27);3,6-7,10-12H,2,4-5,8-9H2,1H3,(H2,19,21,22,23).
What are the key properties of 6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine;2-N-methyl-2-N-phenyl-6-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine?
6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine;2-N-methyl-2-N-phenyl-6-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 765.77 g/mol, XLogP of 6.67, 8 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine;2-N-methyl-2-N-phenyl-6-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 157467369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).