5,5,5-trifluoro-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-amine

C11H19F3N4 — CID 79952589

IUPAC5,5,5-trifluoro-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-amine
SMILESCNC(CCC(F)(F)F)Cc1ncnn1C(C)C
InChIInChI=1S/C11H19F3N4/c1-8(2)18-10(16-7-17-18)6-9(15-3)4-5-11(12,13)14/h7-9,15H,4-6H2,1-3H3
InChIKeyAUJCOXPXBYEJJJ-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.33
Rot. Bonds6

About 5,5,5-trifluoro-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-amine

5,5,5-trifluoro-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-amine (PubChem CID 79952589) has the molecular formula C11H19F3N4 and a molecular weight of 264.29 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-amine
PubChem CID79952589
Molecular FormulaC11H19F3N4
Molecular Weight264.29 g/mol
Exact Mass264.16
IUPAC Name5,5,5-trifluoro-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-amine
SMILESCNC(CCC(F)(F)F)Cc1ncnn1C(C)C
InChIInChI=1S/C11H19F3N4/c1-8(2)18-10(16-7-17-18)6-9(15-3)4-5-11(12,13)14/h7-9,15H,4-6H2,1-3H3
InChIKeyAUJCOXPXBYEJJJ-UHFFFAOYSA-N
XLogP2.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5,5-trifluoro-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-amine (CID 79952589) is 5,5,5-trifluoro-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-amine is CNC(CCC(F)(F)F)Cc1ncnn1C(C)C.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-amine?
The InChIKey is AUJCOXPXBYEJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c1-8(2)18-10(16-7-17-18)6-9(15-3)4-5-11(12,13)14/h7-9,15H,4-6H2,1-3H3.
What are the key properties of 5,5,5-trifluoro-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-amine?
5,5,5-trifluoro-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-amine has a molecular weight of 264.29 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-amine is sourced from PubChem (CID 79952589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).