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

C10H15F3N4 — CID 79964696

IUPAC4-tert-butyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(CCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4/c1-9(2,3)7-15-6(16-8(14)17-7)4-5-10(11,12)13/h4-5H2,1-3H3,(H2,14,15,16,17)
InChIKeyHHNHLKSJTYDJKV-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.25
Rot. Bonds2

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

4-tert-butyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (PubChem CID 79964696) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-tert-butyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
PubChem CID79964696
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name4-tert-butyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(CCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4/c1-9(2,3)7-15-6(16-8(14)17-7)4-5-10(11,12)13/h4-5H2,1-3H3,(H2,14,15,16,17)
InChIKeyHHNHLKSJTYDJKV-UHFFFAOYSA-N
XLogP2.25
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (CID 79964696) is 4-tert-butyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is CC(C)(C)c1nc(N)nc(CCC(F)(F)F)n1.
What is the InChIKey of 4-tert-butyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The InChIKey is HHNHLKSJTYDJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-9(2,3)7-15-6(16-8(14)17-7)4-5-10(11,12)13/h4-5H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-tert-butyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
4-tert-butyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine has a molecular weight of 248.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 79964696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).