azane;5-methyl-4-(trifluoromethyl)-1H-imidazole

C5H8F3N3 — CID 175578063

IUPACazane;5-methyl-4-(trifluoromethyl)-1H-imidazole
SMILESCc1[nH]cnc1C(F)(F)F.N
InChIInChI=1S/C5H5F3N2.H3N/c1-3-4(5(6,7)8)10-2-9-3;/h2H,1H3,(H,9,10);1H3
InChIKeyRDQPFYYZLLEQSW-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.90
Rot. Bonds

About azane;5-methyl-4-(trifluoromethyl)-1H-imidazole

azane;5-methyl-4-(trifluoromethyl)-1H-imidazole (PubChem CID 175578063) has the molecular formula C5H8F3N3 and a molecular weight of 167.13 g/mol. Its IUPAC name is azane;5-methyl-4-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Nameazane;5-methyl-4-(trifluoromethyl)-1H-imidazole
PubChem CID175578063
Molecular FormulaC5H8F3N3
Molecular Weight167.13 g/mol
Exact Mass167.07
IUPAC Nameazane;5-methyl-4-(trifluoromethyl)-1H-imidazole
SMILESCc1[nH]cnc1C(F)(F)F.N
InChIInChI=1S/C5H5F3N2.H3N/c1-3-4(5(6,7)8)10-2-9-3;/h2H,1H3,(H,9,10);1H3
InChIKeyRDQPFYYZLLEQSW-UHFFFAOYSA-N
XLogP1.90
TPSA63.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze azane;5-methyl-4-(trifluoromethyl)-1H-imidazole 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 azane;5-methyl-4-(trifluoromethyl)-1H-imidazole?
The IUPAC name of azane;5-methyl-4-(trifluoromethyl)-1H-imidazole (CID 175578063) is azane;5-methyl-4-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for azane;5-methyl-4-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for azane;5-methyl-4-(trifluoromethyl)-1H-imidazole is Cc1[nH]cnc1C(F)(F)F.N.
What is the InChIKey of azane;5-methyl-4-(trifluoromethyl)-1H-imidazole?
The InChIKey is RDQPFYYZLLEQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2.H3N/c1-3-4(5(6,7)8)10-2-9-3;/h2H,1H3,(H,9,10);1H3.
What are the key properties of azane;5-methyl-4-(trifluoromethyl)-1H-imidazole?
azane;5-methyl-4-(trifluoromethyl)-1H-imidazole has a molecular weight of 167.13 g/mol, XLogP of 1.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-methyl-4-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 175578063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).