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

C7H11F3N4 — CID 115516963

IUPAC5,5,5-trifluoro-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine
SMILESNC(CCCC(F)(F)F)c1ncn[nH]1
InChIInChI=1S/C7H11F3N4/c8-7(9,10)3-1-2-5(11)6-12-4-13-14-6/h4-5H,1-3,11H2,(H,12,13,14)
InChIKeyXVABTJAMCJVBKJ-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.54
Rot. Bonds4

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

5,5,5-trifluoro-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine (PubChem CID 115516963) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine
PubChem CID115516963
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name5,5,5-trifluoro-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine
SMILESNC(CCCC(F)(F)F)c1ncn[nH]1
InChIInChI=1S/C7H11F3N4/c8-7(9,10)3-1-2-5(11)6-12-4-13-14-6/h4-5H,1-3,11H2,(H,12,13,14)
InChIKeyXVABTJAMCJVBKJ-UHFFFAOYSA-N
XLogP1.54
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5,5,5-trifluoro-1-(1H-1,2,4-triazol-5-yl)pentan-1-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-(1H-1,2,4-triazol-5-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine (CID 115516963) is 5,5,5-trifluoro-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine is NC(CCCC(F)(F)F)c1ncn[nH]1.
What is the InChIKey of 5,5,5-trifluoro-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine?
The InChIKey is XVABTJAMCJVBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c8-7(9,10)3-1-2-5(11)6-12-4-13-14-6/h4-5H,1-3,11H2,(H,12,13,14).
What are the key properties of 5,5,5-trifluoro-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine?
5,5,5-trifluoro-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine has a molecular weight of 208.19 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine is sourced from PubChem (CID 115516963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).