4-cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine

C12H17F3N4 — CID 79964781

IUPAC4-cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CCC(F)(F)F)nc(C2CCCCC2)n1
InChIInChI=1S/C12H17F3N4/c13-12(14,15)7-6-9-17-10(19-11(16)18-9)8-4-2-1-3-5-8/h8H,1-7H2,(H2,16,17,18,19)
InChIKeyGNPLZPGORUAYAA-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.00
Rot. Bonds3

About 4-cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine

4-cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (PubChem CID 79964781) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
PubChem CID79964781
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name4-cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CCC(F)(F)F)nc(C2CCCCC2)n1
InChIInChI=1S/C12H17F3N4/c13-12(14,15)7-6-9-17-10(19-11(16)18-9)8-4-2-1-3-5-8/h8H,1-7H2,(H2,16,17,18,19)
InChIKeyGNPLZPGORUAYAA-UHFFFAOYSA-N
XLogP3.00
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

Analyze 4-cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chloro-6-cyclohexyl-1,3,5-triazin-2-amine
CID 66520693
6-Cyclohexyl-1,3,5-triazine-2,4-diamine
CID 91411
6-(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)-1,3,5-triazine-2,4-diamine
CID 14512644
6-[3,4,4,4-Tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine
CID 14512663
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-[[1-(Trifluoromethyl)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine
CID 156220346
6-[[1-(Trifluoromethyl)cyclopentyl]methyl]-1,3,5-triazine-2,4-diamine
CID 156220358
6-(3,3-Difluorocyclopentyl)-1,3,5-triazine-2,4-diamine
CID 175495116
4-Cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 55252118
4-Cyclohexyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63867780

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (CID 79964781) is 4-cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is Nc1nc(CCC(F)(F)F)nc(C2CCCCC2)n1.
What is the InChIKey of 4-cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The InChIKey is GNPLZPGORUAYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c13-12(14,15)7-6-9-17-10(19-11(16)18-9)8-4-2-1-3-5-8/h8H,1-7H2,(H2,16,17,18,19).
What are the key properties of 4-cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
4-cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine has a molecular weight of 274.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 79964781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).