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

C10H16F3N5 — CID 21120008

IUPAC1-cyclohexyl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine
SMILESNC1=NC(N)N(C2CCCCC2)C(C(F)(F)F)=N1
InChIInChI=1S/C10H16F3N5/c11-10(12,13)7-16-8(14)17-9(15)18(7)6-4-2-1-3-5-6/h6,9H,1-5,15H2,(H2,14,17)
InChIKeyURJDKOOOQDNDKK-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.15
Rot. Bonds1

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

1-cyclohexyl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine (PubChem CID 21120008) has the molecular formula C10H16F3N5 and a molecular weight of 263.27 g/mol. Its IUPAC name is 1-cyclohexyl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-cyclohexyl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine
PubChem CID21120008
Molecular FormulaC10H16F3N5
Molecular Weight263.27 g/mol
Exact Mass263.14
IUPAC Name1-cyclohexyl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine
SMILESNC1=NC(N)N(C2CCCCC2)C(C(F)(F)F)=N1
InChIInChI=1S/C10H16F3N5/c11-10(12,13)7-16-8(14)17-9(15)18(7)6-4-2-1-3-5-6/h6,9H,1-5,15H2,(H2,14,17)
InChIKeyURJDKOOOQDNDKK-UHFFFAOYSA-N
XLogP1.15
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-cyclohexyl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine (CID 21120008) is 1-cyclohexyl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-cyclohexyl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-cyclohexyl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine is NC1=NC(N)N(C2CCCCC2)C(C(F)(F)F)=N1.
What is the InChIKey of 1-cyclohexyl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine?
The InChIKey is URJDKOOOQDNDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5/c11-10(12,13)7-16-8(14)17-9(15)18(7)6-4-2-1-3-5-6/h6,9H,1-5,15H2,(H2,14,17).
What are the key properties of 1-cyclohexyl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine?
1-cyclohexyl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine has a molecular weight of 263.27 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21120008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).