[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]triazol-4-yl]methanamine

C9H11F3N6 — CID 62443327

IUPAC[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]triazol-4-yl]methanamine
SMILESNCc1cn(CCn2ccc(C(F)(F)F)n2)nn1
InChIInChI=1S/C9H11F3N6/c10-9(11,12)8-1-2-17(15-8)3-4-18-6-7(5-13)14-16-18/h1-2,6H,3-5,13H2
InChIKeyIIQXTQVBPXRSFY-UHFFFAOYSA-N
MW260.22 g/mol
LogP0.65
Rot. Bonds4

About [1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]triazol-4-yl]methanamine

[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]triazol-4-yl]methanamine (PubChem CID 62443327) has the molecular formula C9H11F3N6 and a molecular weight of 260.22 g/mol. Its IUPAC name is [1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]triazol-4-yl]methanamine
PubChem CID62443327
Molecular FormulaC9H11F3N6
Molecular Weight260.22 g/mol
Exact Mass260.10
IUPAC Name[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]triazol-4-yl]methanamine
SMILESNCc1cn(CCn2ccc(C(F)(F)F)n2)nn1
InChIInChI=1S/C9H11F3N6/c10-9(11,12)8-1-2-17(15-8)3-4-18-6-7(5-13)14-16-18/h1-2,6H,3-5,13H2
InChIKeyIIQXTQVBPXRSFY-UHFFFAOYSA-N
XLogP0.65
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]triazol-4-yl]methanamine 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 [1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]triazol-4-yl]methanamine (CID 62443327) is [1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]triazol-4-yl]methanamine is NCc1cn(CCn2ccc(C(F)(F)F)n2)nn1.
What is the InChIKey of [1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]triazol-4-yl]methanamine?
The InChIKey is IIQXTQVBPXRSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N6/c10-9(11,12)8-1-2-17(15-8)3-4-18-6-7(5-13)14-16-18/h1-2,6H,3-5,13H2.
What are the key properties of [1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]triazol-4-yl]methanamine?
[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]triazol-4-yl]methanamine has a molecular weight of 260.22 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62443327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).