N-methyl-4-(methylideneamino)-N-phenyl-6-[5-[(1R,5S)-8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazin-2-amine

C23H25F3N8O — CID 162590224

IUPACN-methyl-4-(methylideneamino)-N-phenyl-6-[5-[(1R,5S)-8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazin-2-amine
SMILESC=Nc1nc(-c2noc(C3C[C@H]4CC[C@@H](C3)N4CCC(F)(F)F)n2)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C23H25F3N8O/c1-27-21-29-18(30-22(31-21)33(2)15-6-4-3-5-7-15)19-28-20(35-32-19)14-12-16-8-9-17(13-14)34(16)11-10-23(24,25)26/h3-7,14,16-17H,1,8-13H2,2H3/t14?,16-,17+
InChIKeyOHACNAWEHMFXCM-ZXFUBFMLSA-N
MW486.50 g/mol
LogP4.68
Rot. Bonds7

About N-methyl-4-(methylideneamino)-N-phenyl-6-[5-[(1R,5S)-8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazin-2-amine

N-methyl-4-(methylideneamino)-N-phenyl-6-[5-[(1R,5S)-8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazin-2-amine (PubChem CID 162590224) has the molecular formula C23H25F3N8O and a molecular weight of 486.50 g/mol. Its IUPAC name is N-methyl-4-(methylideneamino)-N-phenyl-6-[5-[(1R,5S)-8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(methylideneamino)-N-phenyl-6-[5-[(1R,5S)-8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazin-2-amine
PubChem CID162590224
Molecular FormulaC23H25F3N8O
Molecular Weight486.50 g/mol
Exact Mass486.21
IUPAC NameN-methyl-4-(methylideneamino)-N-phenyl-6-[5-[(1R,5S)-8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazin-2-amine
SMILESC=Nc1nc(-c2noc(C3C[C@H]4CC[C@@H](C3)N4CCC(F)(F)F)n2)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C23H25F3N8O/c1-27-21-29-18(30-22(31-21)33(2)15-6-4-3-5-7-15)19-28-20(35-32-19)14-12-16-8-9-17(13-14)34(16)11-10-23(24,25)26/h3-7,14,16-17H,1,8-13H2,2H3/t14?,16-,17+
InChIKeyOHACNAWEHMFXCM-ZXFUBFMLSA-N
XLogP4.68
TPSA96.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylideneamino)-N-phenyl-6-[5-[(1R,5S)-8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-(methylideneamino)-N-phenyl-6-[5-[(1R,5S)-8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazin-2-amine (CID 162590224) is N-methyl-4-(methylideneamino)-N-phenyl-6-[5-[(1R,5S)-8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-(methylideneamino)-N-phenyl-6-[5-[(1R,5S)-8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-(methylideneamino)-N-phenyl-6-[5-[(1R,5S)-8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazin-2-amine is C=Nc1nc(-c2noc(C3C[C@H]4CC[C@@H](C3)N4CCC(F)(F)F)n2)nc(N(C)c2ccccc2)n1.
What is the InChIKey of N-methyl-4-(methylideneamino)-N-phenyl-6-[5-[(1R,5S)-8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazin-2-amine?
The InChIKey is OHACNAWEHMFXCM-ZXFUBFMLSA-N. The full InChI is InChI=1S/C23H25F3N8O/c1-27-21-29-18(30-22(31-21)33(2)15-6-4-3-5-7-15)19-28-20(35-32-19)14-12-16-8-9-17(13-14)34(16)11-10-23(24,25)26/h3-7,14,16-17H,1,8-13H2,2H3/t14?,16-,17+.
What are the key properties of N-methyl-4-(methylideneamino)-N-phenyl-6-[5-[(1R,5S)-8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazin-2-amine?
N-methyl-4-(methylideneamino)-N-phenyl-6-[5-[(1R,5S)-8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazin-2-amine has a molecular weight of 486.50 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylideneamino)-N-phenyl-6-[5-[(1R,5S)-8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 162590224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).