4-cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

C12H17F3N4 — CID 55252118

IUPAC4-cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CC(F)(F)F)nc(C2CCCCCC2)n1
InChIInChI=1S/C12H17F3N4/c13-12(14,15)7-9-17-10(19-11(16)18-9)8-5-3-1-2-4-6-8/h8H,1-7H2,(H2,16,17,18,19)
InChIKeyVVTRYWNCKWGPNX-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.00
Rot. Bonds2

About 4-cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

4-cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 55252118) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID55252118
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name4-cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CC(F)(F)F)nc(C2CCCCCC2)n1
InChIInChI=1S/C12H17F3N4/c13-12(14,15)7-9-17-10(19-11(16)18-9)8-5-3-1-2-4-6-8/h8H,1-7H2,(H2,16,17,18,19)
InChIKeyVVTRYWNCKWGPNX-UHFFFAOYSA-N
XLogP3.00
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4,4-Difluorocyclohexyl)-1,3,5-triazine-2,4-diamine
CID 112681579
6-[4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine
CID 139685065
6-(2,2-Difluorocyclopentyl)-1,3,5-triazine-2,4-diamine
CID 151228038
6-(3,3-Difluorocyclopentyl)-1,3,5-triazine-2,4-diamine
CID 175495116
4-Cyclohexyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63867780
4-Cyclopentyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63868491
4-Cyclopentyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 79964697
4-Cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 79964781
4-Cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 79964959
4-Chloro-6-(4,4-difluorocyclohexyl)-1,3,5-triazin-2-amine
CID 83241027
4-Chloro-6-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine
CID 83241343
4-Cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151169

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 55252118) is 4-cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is Nc1nc(CC(F)(F)F)nc(C2CCCCCC2)n1.
What is the InChIKey of 4-cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is VVTRYWNCKWGPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c13-12(14,15)7-9-17-10(19-11(16)18-9)8-5-3-1-2-4-6-8/h8H,1-7H2,(H2,16,17,18,19).
What are the key properties of 4-cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 274.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 55252118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).