6-[4-(trifluoromethyl)cyclohexyl]-1,3,5-triazine-2,4-diamine

C10H14F3N5 — CID 112681426

IUPAC6-[4-(trifluoromethyl)cyclohexyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C10H14F3N5/c11-10(12,13)6-3-1-5(2-4-6)7-16-8(14)18-9(15)17-7/h5-6H,1-4H2,(H4,14,15,16,17,18)
InChIKeySKUCYDVGQJDYCQ-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.87
Rot. Bonds1

About 6-[4-(trifluoromethyl)cyclohexyl]-1,3,5-triazine-2,4-diamine

6-[4-(trifluoromethyl)cyclohexyl]-1,3,5-triazine-2,4-diamine (PubChem CID 112681426) has the molecular formula C10H14F3N5 and a molecular weight of 261.25 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)cyclohexyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)cyclohexyl]-1,3,5-triazine-2,4-diamine
PubChem CID112681426
Molecular FormulaC10H14F3N5
Molecular Weight261.25 g/mol
Exact Mass261.12
IUPAC Name6-[4-(trifluoromethyl)cyclohexyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C10H14F3N5/c11-10(12,13)6-3-1-5(2-4-6)7-16-8(14)18-9(15)17-7/h5-6H,1-4H2,(H4,14,15,16,17,18)
InChIKeySKUCYDVGQJDYCQ-UHFFFAOYSA-N
XLogP1.87
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(4,4,5,5,6,6,7,7,7-Nonafluoroheptyl)-1,3,5-triazine-2,4-diamine
CID 14512656
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-(3,3-Difluorocyclobutyl)-1,3,5-triazine-2,4-diamine
CID 127004945
6-(1-Fluorocyclopentyl)-1,3,5-triazine-2,4-diamine
CID 135367721
6-(6,6,7,7,8,8,9,9,9-Nonafluorononyl)-1,3,5-triazine-2,4-diamine
CID 139685062
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

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)cyclohexyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-(trifluoromethyl)cyclohexyl]-1,3,5-triazine-2,4-diamine (CID 112681426) is 6-[4-(trifluoromethyl)cyclohexyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-(trifluoromethyl)cyclohexyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-(trifluoromethyl)cyclohexyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 6-[4-(trifluoromethyl)cyclohexyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is SKUCYDVGQJDYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5/c11-10(12,13)6-3-1-5(2-4-6)7-16-8(14)18-9(15)17-7/h5-6H,1-4H2,(H4,14,15,16,17,18).
What are the key properties of 6-[4-(trifluoromethyl)cyclohexyl]-1,3,5-triazine-2,4-diamine?
6-[4-(trifluoromethyl)cyclohexyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 261.25 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)cyclohexyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112681426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).