[5-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]methanamine

C11H11F3N4 — CID 82568174

IUPAC[5-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]methanamine
SMILESNCc1n[nH]c(Cc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4/c12-11(13,14)8-4-2-1-3-7(8)5-9-16-10(6-15)18-17-9/h1-4H,5-6,15H2,(H,16,17,18)
InChIKeyXARXZKUVZBSDND-UHFFFAOYSA-N
MW256.23 g/mol
LogP1.87
Rot. Bonds3

About [5-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]methanamine

[5-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]methanamine (PubChem CID 82568174) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is [5-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]methanamine
PubChem CID82568174
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name[5-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]methanamine
SMILESNCc1n[nH]c(Cc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4/c12-11(13,14)8-4-2-1-3-7(8)5-9-16-10(6-15)18-17-9/h1-4H,5-6,15H2,(H,16,17,18)
InChIKeyXARXZKUVZBSDND-UHFFFAOYSA-N
XLogP1.87
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-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

Related Compounds

2-[5-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]ethanamine
CID 82568218
5-[5-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]pentan-1-amine
CID 82568579
2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
CID 115083960
2-chloro-5-methoxy-4-[5-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]aniline
CID 82568927
2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 150949488
[2-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 117135042
3-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66274945
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
3-amino-4-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-5-thione
CID 64571746
2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
CID 72900299
5-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxylic acid
CID 115093049
[2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631455

Frequently Asked Questions

What is the IUPAC name of [5-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]methanamine (CID 82568174) is [5-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]methanamine is NCc1n[nH]c(Cc2ccccc2C(F)(F)F)n1.
What is the InChIKey of [5-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]methanamine?
The InChIKey is XARXZKUVZBSDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c12-11(13,14)8-4-2-1-3-7(8)5-9-16-10(6-15)18-17-9/h1-4H,5-6,15H2,(H,16,17,18).
What are the key properties of [5-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]methanamine?
[5-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]methanamine has a molecular weight of 256.23 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82568174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).