5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine

C11H19F3N4 — CID 79953154

IUPAC5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
SMILESCC(C)Cn1ncnc1CC(N)CCC(F)(F)F
InChIInChI=1S/C11H19F3N4/c1-8(2)6-18-10(16-7-17-18)5-9(15)3-4-11(12,13)14/h7-9H,3-6,15H2,1-2H3
InChIKeyVBXCDEVSOCSVKZ-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.15
Rot. Bonds6

About 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine

5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine (PubChem CID 79953154) has the molecular formula C11H19F3N4 and a molecular weight of 264.29 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
PubChem CID79953154
Molecular FormulaC11H19F3N4
Molecular Weight264.29 g/mol
Exact Mass264.16
IUPAC Name5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
SMILESCC(C)Cn1ncnc1CC(N)CCC(F)(F)F
InChIInChI=1S/C11H19F3N4/c1-8(2)6-18-10(16-7-17-18)5-9(15)3-4-11(12,13)14/h7-9H,3-6,15H2,1-2H3
InChIKeyVBXCDEVSOCSVKZ-UHFFFAOYSA-N
XLogP2.15
TPSA56.73 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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5,5-trifluoro-1-[2-(2-methylpropyl)-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-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine (CID 79953154) is 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine is CC(C)Cn1ncnc1CC(N)CCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine?
The InChIKey is VBXCDEVSOCSVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c1-8(2)6-18-10(16-7-17-18)5-9(15)3-4-11(12,13)14/h7-9H,3-6,15H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine?
5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine has a molecular weight of 264.29 g/mol, XLogP of 2.15, 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-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine is sourced from PubChem (CID 79953154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).