3-[1-(3-bromophenyl)-3-fluoro-3-methylcyclobutyl]-4-methyl-1,2,4-triazole

C14H15BrFN3 — CID 167506209

IUPAC3-[1-(3-bromophenyl)-3-fluoro-3-methylcyclobutyl]-4-methyl-1,2,4-triazole
SMILESCn1cnnc1C1(c2cccc(Br)c2)CC(C)(F)C1
InChIInChI=1S/C14H15BrFN3/c1-13(16)7-14(8-13,12-18-17-9-19(12)2)10-4-3-5-11(15)6-10/h3-6,9H,7-8H2,1-2H3
InChIKeyFSOMCSJRZIWYBX-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.39
Rot. Bonds2

About 3-[1-(3-bromophenyl)-3-fluoro-3-methylcyclobutyl]-4-methyl-1,2,4-triazole

3-[1-(3-bromophenyl)-3-fluoro-3-methylcyclobutyl]-4-methyl-1,2,4-triazole (PubChem CID 167506209) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 3-[1-(3-bromophenyl)-3-fluoro-3-methylcyclobutyl]-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[1-(3-bromophenyl)-3-fluoro-3-methylcyclobutyl]-4-methyl-1,2,4-triazole
PubChem CID167506209
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name3-[1-(3-bromophenyl)-3-fluoro-3-methylcyclobutyl]-4-methyl-1,2,4-triazole
SMILESCn1cnnc1C1(c2cccc(Br)c2)CC(C)(F)C1
InChIInChI=1S/C14H15BrFN3/c1-13(16)7-14(8-13,12-18-17-9-19(12)2)10-4-3-5-11(15)6-10/h3-6,9H,7-8H2,1-2H3
InChIKeyFSOMCSJRZIWYBX-UHFFFAOYSA-N
XLogP3.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[1-(3-bromophenyl)-3-fluoro-3-methylcyclobutyl]-4-methyl-1,2,4-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

3-[1-(3-bromophenyl)cyclobutyl]-4-methyl-1,2,4-triazole
CID 168835245
3-[[1-(3-bromophenyl)-3,3-difluorocyclobutyl]-fluoromethyl]-4-methyl-1,2,4-triazole
CID 167404357
4-methyl-3-(5-phenylspiro[2.3]hexan-5-yl)-1,2,4-triazole
CID 171623213
3-[(S)-[3-(3-bromophenyl)oxetan-3-yl]-fluoromethyl]-4-methyl-1,2,4-triazole
CID 139350029
3-(3-aminophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
CID 167186273
3-[1-(3-iodophenyl)-3-methoxycyclobutyl]-4-methyl-1,2,4-triazole
CID 176972823
4-methyl-3-[3-(3-nitrophenyl)oxolan-3-yl]-1,2,4-triazole
CID 155435203
3-[1-(3-bromophenyl)-1-fluoroethyl]-4-methyl-1,2,4-triazole
CID 170271118
2-[1-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]aniline
CID 175734591
4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride
CID 170931641
N-[3-[3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-formyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 170948530
6-isocyano-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171752846

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-bromophenyl)-3-fluoro-3-methylcyclobutyl]-4-methyl-1,2,4-triazole?
The IUPAC name of 3-[1-(3-bromophenyl)-3-fluoro-3-methylcyclobutyl]-4-methyl-1,2,4-triazole (CID 167506209) is 3-[1-(3-bromophenyl)-3-fluoro-3-methylcyclobutyl]-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-[1-(3-bromophenyl)-3-fluoro-3-methylcyclobutyl]-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-[1-(3-bromophenyl)-3-fluoro-3-methylcyclobutyl]-4-methyl-1,2,4-triazole is Cn1cnnc1C1(c2cccc(Br)c2)CC(C)(F)C1.
What is the InChIKey of 3-[1-(3-bromophenyl)-3-fluoro-3-methylcyclobutyl]-4-methyl-1,2,4-triazole?
The InChIKey is FSOMCSJRZIWYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-13(16)7-14(8-13,12-18-17-9-19(12)2)10-4-3-5-11(15)6-10/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3-[1-(3-bromophenyl)-3-fluoro-3-methylcyclobutyl]-4-methyl-1,2,4-triazole?
3-[1-(3-bromophenyl)-3-fluoro-3-methylcyclobutyl]-4-methyl-1,2,4-triazole has a molecular weight of 324.20 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-bromophenyl)-3-fluoro-3-methylcyclobutyl]-4-methyl-1,2,4-triazole is sourced from PubChem (CID 167506209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).