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

C8H13F3N4 — CID 79953441

IUPAC5,5,5-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
SMILESCn1ncnc1CC(N)CCC(F)(F)F
InChIInChI=1S/C8H13F3N4/c1-15-7(13-5-14-15)4-6(12)2-3-8(9,10)11/h5-6H,2-4,12H2,1H3
InChIKeyACBFPMVJYDXWQS-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.03
Rot. Bonds4

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

5,5,5-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine (PubChem CID 79953441) has the molecular formula C8H13F3N4 and a molecular weight of 222.21 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
PubChem CID79953441
Molecular FormulaC8H13F3N4
Molecular Weight222.21 g/mol
Exact Mass222.11
IUPAC Name5,5,5-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
SMILESCn1ncnc1CC(N)CCC(F)(F)F
InChIInChI=1S/C8H13F3N4/c1-15-7(13-5-14-15)4-6(12)2-3-8(9,10)11/h5-6H,2-4,12H2,1H3
InChIKeyACBFPMVJYDXWQS-UHFFFAOYSA-N
XLogP1.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5,5-trifluoro-1-(2-methyl-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-methyl-1,2,4-triazol-3-yl)pentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine (CID 79953441) is 5,5,5-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine is Cn1ncnc1CC(N)CCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine?
The InChIKey is ACBFPMVJYDXWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4/c1-15-7(13-5-14-15)4-6(12)2-3-8(9,10)11/h5-6H,2-4,12H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine?
5,5,5-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine has a molecular weight of 222.21 g/mol, XLogP of 1.03, 4 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-methyl-1,2,4-triazol-3-yl)pentan-2-amine is sourced from PubChem (CID 79953441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).