4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

C13H11F3N4 — CID 63868345

IUPAC4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESNc1nc(-c2cccc(C(F)(F)F)c2)nc(C2CC2)n1
InChIInChI=1S/C13H11F3N4/c14-13(15,16)9-3-1-2-8(6-9)11-18-10(7-4-5-7)19-12(17)20-11/h1-3,6-7H,4-5H2,(H2,17,18,19,20)
InChIKeyRELFSQPXCYFLNU-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.02
Rot. Bonds2

About 4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 63868345) has the molecular formula C13H11F3N4 and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID63868345
Molecular FormulaC13H11F3N4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Name4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESNc1nc(-c2cccc(C(F)(F)F)c2)nc(C2CC2)n1
InChIInChI=1S/C13H11F3N4/c14-13(15,16)9-3-1-2-8(6-9)11-18-10(7-4-5-7)19-12(17)20-11/h1-3,6-7H,4-5H2,(H2,17,18,19,20)
InChIKeyRELFSQPXCYFLNU-UHFFFAOYSA-N
XLogP3.02
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (CID 63868345) is 4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is Nc1nc(-c2cccc(C(F)(F)F)c2)nc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is RELFSQPXCYFLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4/c14-13(15,16)9-3-1-2-8(6-9)11-18-10(7-4-5-7)19-12(17)20-11/h1-3,6-7H,4-5H2,(H2,17,18,19,20).
What are the key properties of 4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 280.25 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).