[1-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride

C5H7ClF3N3 — CID 155970532

IUPAC[1-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride
SMILESCl.NCc1nccn1C(F)(F)F
InChIInChI=1S/C5H6F3N3.ClH/c6-5(7,8)11-2-1-10-4(11)3-9;/h1-2H,3,9H2;1H
InChIKeyMYDOIKINMPXFJR-UHFFFAOYSA-N
MW201.58 g/mol
LogP1.24
Rot. Bonds1

About [1-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride

[1-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride (PubChem CID 155970532) has the molecular formula C5H7ClF3N3 and a molecular weight of 201.58 g/mol. Its IUPAC name is [1-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride
PubChem CID155970532
Molecular FormulaC5H7ClF3N3
Molecular Weight201.58 g/mol
Exact Mass201.03
IUPAC Name[1-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride
SMILESCl.NCc1nccn1C(F)(F)F
InChIInChI=1S/C5H6F3N3.ClH/c6-5(7,8)11-2-1-10-4(11)3-9;/h1-2H,3,9H2;1H
InChIKeyMYDOIKINMPXFJR-UHFFFAOYSA-N
XLogP1.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.58
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride 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-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride (CID 155970532) is [1-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride is Cl.NCc1nccn1C(F)(F)F.
What is the InChIKey of [1-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride?
The InChIKey is MYDOIKINMPXFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3.ClH/c6-5(7,8)11-2-1-10-4(11)3-9;/h1-2H,3,9H2;1H.
What are the key properties of [1-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride?
[1-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride has a molecular weight of 201.58 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 155970532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).