[3-methyl-5-(trifluoromethyl)imidazol-4-yl]methanamine

C6H8F3N3 — CID 84656747

IUPAC[3-methyl-5-(trifluoromethyl)imidazol-4-yl]methanamine
SMILESCn1cnc(C(F)(F)F)c1CN
InChIInChI=1S/C6H8F3N3/c1-12-3-11-5(4(12)2-10)6(7,8)9/h3H,2,10H2,1H3
InChIKeyWZFUPHMEVJKNOB-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.90
Rot. Bonds1

About [3-methyl-5-(trifluoromethyl)imidazol-4-yl]methanamine

[3-methyl-5-(trifluoromethyl)imidazol-4-yl]methanamine (PubChem CID 84656747) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is [3-methyl-5-(trifluoromethyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-5-(trifluoromethyl)imidazol-4-yl]methanamine
PubChem CID84656747
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name[3-methyl-5-(trifluoromethyl)imidazol-4-yl]methanamine
SMILESCn1cnc(C(F)(F)F)c1CN
InChIInChI=1S/C6H8F3N3/c1-12-3-11-5(4(12)2-10)6(7,8)9/h3H,2,10H2,1H3
InChIKeyWZFUPHMEVJKNOB-UHFFFAOYSA-N
XLogP0.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-methyl-5-(trifluoromethyl)imidazol-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 [3-methyl-5-(trifluoromethyl)imidazol-4-yl]methanamine?
The IUPAC name of [3-methyl-5-(trifluoromethyl)imidazol-4-yl]methanamine (CID 84656747) is [3-methyl-5-(trifluoromethyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-methyl-5-(trifluoromethyl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-methyl-5-(trifluoromethyl)imidazol-4-yl]methanamine is Cn1cnc(C(F)(F)F)c1CN.
What is the InChIKey of [3-methyl-5-(trifluoromethyl)imidazol-4-yl]methanamine?
The InChIKey is WZFUPHMEVJKNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-12-3-11-5(4(12)2-10)6(7,8)9/h3H,2,10H2,1H3.
What are the key properties of [3-methyl-5-(trifluoromethyl)imidazol-4-yl]methanamine?
[3-methyl-5-(trifluoromethyl)imidazol-4-yl]methanamine has a molecular weight of 179.15 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(trifluoromethyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 84656747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).