5-(trifluoromethyl)-1H-imidazol-4-amine

C4H4F3N3 — CID 82417408

IUPAC5-(trifluoromethyl)-1H-imidazol-4-amine
SMILESNc1nc[nH]c1C(F)(F)F
InChIInChI=1S/C4H4F3N3/c5-4(6,7)2-3(8)10-1-9-2/h1H,8H2,(H,9,10)
InChIKeyBBGYGMVCSPXNLZ-UHFFFAOYSA-N
MW151.09 g/mol
LogP1.01
Rot. Bonds

About 5-(trifluoromethyl)-1H-imidazol-4-amine

5-(trifluoromethyl)-1H-imidazol-4-amine (PubChem CID 82417408) has the molecular formula C4H4F3N3 and a molecular weight of 151.09 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-imidazol-4-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-imidazol-4-amine
PubChem CID82417408
Molecular FormulaC4H4F3N3
Molecular Weight151.09 g/mol
Exact Mass151.04
IUPAC Name5-(trifluoromethyl)-1H-imidazol-4-amine
SMILESNc1nc[nH]c1C(F)(F)F
InChIInChI=1S/C4H4F3N3/c5-4(6,7)2-3(8)10-1-9-2/h1H,8H2,(H,9,10)
InChIKeyBBGYGMVCSPXNLZ-UHFFFAOYSA-N
XLogP1.01
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(trifluoromethyl)-1H-imidazol-4-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-(trifluoromethyl)-1H-imidazol-4-amine?
The IUPAC name of 5-(trifluoromethyl)-1H-imidazol-4-amine (CID 82417408) is 5-(trifluoromethyl)-1H-imidazol-4-amine.
What is the SMILES notation for 5-(trifluoromethyl)-1H-imidazol-4-amine?
The canonical SMILES for 5-(trifluoromethyl)-1H-imidazol-4-amine is Nc1nc[nH]c1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-1H-imidazol-4-amine?
The InChIKey is BBGYGMVCSPXNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3/c5-4(6,7)2-3(8)10-1-9-2/h1H,8H2,(H,9,10).
What are the key properties of 5-(trifluoromethyl)-1H-imidazol-4-amine?
5-(trifluoromethyl)-1H-imidazol-4-amine has a molecular weight of 151.09 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-imidazol-4-amine is sourced from PubChem (CID 82417408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).