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

C5H6F3N3 — CID 175024891

IUPAC5-methyl-N-(trifluoromethyl)-1H-imidazol-4-amine
SMILESCc1[nH]cnc1NC(F)(F)F
InChIInChI=1S/C5H6F3N3/c1-3-4(10-2-9-3)11-5(6,7)8/h2,11H,1H3,(H,9,10)
InChIKeyGVCHRLYLIKDGSZ-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.65
Rot. Bonds1

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

5-methyl-N-(trifluoromethyl)-1H-imidazol-4-amine (PubChem CID 175024891) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is 5-methyl-N-(trifluoromethyl)-1H-imidazol-4-amine.

Molecular Properties

Compound Name5-methyl-N-(trifluoromethyl)-1H-imidazol-4-amine
PubChem CID175024891
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name5-methyl-N-(trifluoromethyl)-1H-imidazol-4-amine
SMILESCc1[nH]cnc1NC(F)(F)F
InChIInChI=1S/C5H6F3N3/c1-3-4(10-2-9-3)11-5(6,7)8/h2,11H,1H3,(H,9,10)
InChIKeyGVCHRLYLIKDGSZ-UHFFFAOYSA-N
XLogP1.65
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(trifluoromethyl)-1H-imidazol-4-amine?
The IUPAC name of 5-methyl-N-(trifluoromethyl)-1H-imidazol-4-amine (CID 175024891) is 5-methyl-N-(trifluoromethyl)-1H-imidazol-4-amine.
What is the SMILES notation for 5-methyl-N-(trifluoromethyl)-1H-imidazol-4-amine?
The canonical SMILES for 5-methyl-N-(trifluoromethyl)-1H-imidazol-4-amine is Cc1[nH]cnc1NC(F)(F)F.
What is the InChIKey of 5-methyl-N-(trifluoromethyl)-1H-imidazol-4-amine?
The InChIKey is GVCHRLYLIKDGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c1-3-4(10-2-9-3)11-5(6,7)8/h2,11H,1H3,(H,9,10).
What are the key properties of 5-methyl-N-(trifluoromethyl)-1H-imidazol-4-amine?
5-methyl-N-(trifluoromethyl)-1H-imidazol-4-amine has a molecular weight of 165.12 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(trifluoromethyl)-1H-imidazol-4-amine is sourced from PubChem (CID 175024891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).