5-bromo-1-methyl-4-(trifluoromethyl)triazole

C4H3BrF3N3 — CID 14489359

IUPAC5-bromo-1-methyl-4-(trifluoromethyl)triazole
SMILESCn1nnc(C(F)(F)F)c1Br
InChIInChI=1S/C4H3BrF3N3/c1-11-3(5)2(9-10-11)4(6,7)8/h1H3
InChIKeyFASFMTVKXONESL-UHFFFAOYSA-N
MW229.99 g/mol
LogP1.60
Rot. Bonds

About 5-bromo-1-methyl-4-(trifluoromethyl)triazole

5-bromo-1-methyl-4-(trifluoromethyl)triazole (PubChem CID 14489359) has the molecular formula C4H3BrF3N3 and a molecular weight of 229.99 g/mol. Its IUPAC name is 5-bromo-1-methyl-4-(trifluoromethyl)triazole.

Molecular Properties

Compound Name5-bromo-1-methyl-4-(trifluoromethyl)triazole
PubChem CID14489359
Molecular FormulaC4H3BrF3N3
Molecular Weight229.99 g/mol
Exact Mass228.95
IUPAC Name5-bromo-1-methyl-4-(trifluoromethyl)triazole
SMILESCn1nnc(C(F)(F)F)c1Br
InChIInChI=1S/C4H3BrF3N3/c1-11-3(5)2(9-10-11)4(6,7)8/h1H3
InChIKeyFASFMTVKXONESL-UHFFFAOYSA-N
XLogP1.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.99
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1-methyl-4-(trifluoromethyl)triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-1,4-dimethyl-1H-1,2,3-triazole
CID 68559958
5-bromo-1-methyl-1H-1,2,3-triazole-4-carbonitrile
CID 69383012
4-Bromo-1-methyl-5-(trifluoromethyl)triazole
CID 14489360
1-Methyl-4,5-bis(trifluoromethyl)triazole
CID 14489365
5-Fluoro-1-methyl-4-(trifluoromethyl)triazole
CID 69382770
5-Bromo-1-butyl-4-(trifluoromethyl)triazole
CID 69382953
4-Bromo-1-butyl-5-(trifluoromethyl)triazole
CID 69382979
5-Bromo-1-propyl-4-(trifluoromethyl)triazole
CID 69383135
5-Bromo-1-propan-2-yl-4-(trifluoromethyl)triazole
CID 69385210
4-Bromo-1-propan-2-yl-5-(trifluoromethyl)triazole
CID 69385876
5-Bromo-1-hexyl-4-(trifluoromethyl)triazole
CID 69386342
4-Bromo-1-propyl-5-(trifluoromethyl)triazole
CID 69386697

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-4-(trifluoromethyl)triazole?
The IUPAC name of 5-bromo-1-methyl-4-(trifluoromethyl)triazole (CID 14489359) is 5-bromo-1-methyl-4-(trifluoromethyl)triazole.
What is the SMILES notation for 5-bromo-1-methyl-4-(trifluoromethyl)triazole?
The canonical SMILES for 5-bromo-1-methyl-4-(trifluoromethyl)triazole is Cn1nnc(C(F)(F)F)c1Br.
What is the InChIKey of 5-bromo-1-methyl-4-(trifluoromethyl)triazole?
The InChIKey is FASFMTVKXONESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrF3N3/c1-11-3(5)2(9-10-11)4(6,7)8/h1H3.
What are the key properties of 5-bromo-1-methyl-4-(trifluoromethyl)triazole?
5-bromo-1-methyl-4-(trifluoromethyl)triazole has a molecular weight of 229.99 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-4-(trifluoromethyl)triazole is sourced from PubChem (CID 14489359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).