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

C13H19F3N4 — CID 79964959

IUPAC4-cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CCC(F)(F)F)nc(C2CCCCCC2)n1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)8-7-10-18-11(20-12(17)19-10)9-5-3-1-2-4-6-9/h9H,1-8H2,(H2,17,18,19,20)
InChIKeyRXJPQAFSKNZZNV-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.39
Rot. Bonds3

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

4-cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (PubChem CID 79964959) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
PubChem CID79964959
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name4-cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CCC(F)(F)F)nc(C2CCCCCC2)n1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)8-7-10-18-11(20-12(17)19-10)9-5-3-1-2-4-6-9/h9H,1-8H2,(H2,17,18,19,20)
InChIKeyRXJPQAFSKNZZNV-UHFFFAOYSA-N
XLogP3.39
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (CID 79964959) is 4-cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is Nc1nc(CCC(F)(F)F)nc(C2CCCCCC2)n1.
What is the InChIKey of 4-cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The InChIKey is RXJPQAFSKNZZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c14-13(15,16)8-7-10-18-11(20-12(17)19-10)9-5-3-1-2-4-6-9/h9H,1-8H2,(H2,17,18,19,20).
What are the key properties of 4-cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
4-cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine has a molecular weight of 288.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 79964959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).