N-[2-(1H-imidazol-2-yl)ethyl]-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C12H12F6N6O2 — CID 565037

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESFC(F)(F)COc1nc(NCCc2ncc[nH]2)nc(OCC(F)(F)F)n1
InChIInChI=1S/C12H12F6N6O2/c13-11(14,15)5-25-9-22-8(21-2-1-7-19-3-4-20-7)23-10(24-9)26-6-12(16,17)18/h3-4H,1-2,5-6H2,(H,19,20)(H,21,22,23,24)
InChIKeyOZEHMXCLFOHWSH-UHFFFAOYSA-N
MW386.26 g/mol
LogP2.13
Rot. Bonds8

About N-[2-(1H-imidazol-2-yl)ethyl]-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

N-[2-(1H-imidazol-2-yl)ethyl]-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 565037) has the molecular formula C12H12F6N6O2 and a molecular weight of 386.26 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID565037
Molecular FormulaC12H12F6N6O2
Molecular Weight386.26 g/mol
Exact Mass386.09
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESFC(F)(F)COc1nc(NCCc2ncc[nH]2)nc(OCC(F)(F)F)n1
InChIInChI=1S/C12H12F6N6O2/c13-11(14,15)5-25-9-22-8(21-2-1-7-19-3-4-20-7)23-10(24-9)26-6-12(16,17)18/h3-4H,1-2,5-6H2,(H,19,20)(H,21,22,23,24)
InChIKeyOZEHMXCLFOHWSH-UHFFFAOYSA-N
XLogP2.13
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 565037) is N-[2-(1H-imidazol-2-yl)ethyl]-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is FC(F)(F)COc1nc(NCCc2ncc[nH]2)nc(OCC(F)(F)F)n1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is OZEHMXCLFOHWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6N6O2/c13-11(14,15)5-25-9-22-8(21-2-1-7-19-3-4-20-7)23-10(24-9)26-6-12(16,17)18/h3-4H,1-2,5-6H2,(H,19,20)(H,21,22,23,24).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
N-[2-(1H-imidazol-2-yl)ethyl]-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 386.26 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 565037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).