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

C14H16BrN3 — CID 155435209

IUPAC3-[(3-bromophenyl)-cyclobutylmethyl]-4-methyl-1,2,4-triazole
SMILESCn1cnnc1C(c1cccc(Br)c1)C1CCC1
InChIInChI=1S/C14H16BrN3/c1-18-9-16-17-14(18)13(10-4-2-5-10)11-6-3-7-12(15)8-11/h3,6-10,13H,2,4-5H2,1H3
InChIKeyRFHYNDDHSALQGX-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.51
Rot. Bonds3

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

3-[(3-bromophenyl)-cyclobutylmethyl]-4-methyl-1,2,4-triazole (PubChem CID 155435209) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 3-[(3-bromophenyl)-cyclobutylmethyl]-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[(3-bromophenyl)-cyclobutylmethyl]-4-methyl-1,2,4-triazole
PubChem CID155435209
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name3-[(3-bromophenyl)-cyclobutylmethyl]-4-methyl-1,2,4-triazole
SMILESCn1cnnc1C(c1cccc(Br)c1)C1CCC1
InChIInChI=1S/C14H16BrN3/c1-18-9-16-17-14(18)13(10-4-2-5-10)11-6-3-7-12(15)8-11/h3,6-10,13H,2,4-5H2,1H3
InChIKeyRFHYNDDHSALQGX-UHFFFAOYSA-N
XLogP3.51
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(3-bromophenyl)-cyclobutylmethyl]-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-[(3-bromo-5-fluorophenyl)-cyclobutylmethyl]-4-methyl-1,2,4-triazole
CID 166080018
3-[(R)-(3-bromophenyl)-(2-oxaspiro[3.3]heptan-6-yl)methyl]-4-methyl-1,2,4-triazole
CID 168835271
3-[cyclobutyl-(3-nitrophenyl)methyl]-4-methyl-1,2,4-triazole;ethane
CID 178119708
1-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-ethenyl-4-methylimidazol-2-one
CID 170732290
4-bromo-6-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(1S)-1-(dimethylamino)ethyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 171623177
3-[(3-bromophenyl)-imidazol-1-ylmethyl]-4-methyl-1,2,4-triazole
CID 168835220
2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 155435214
3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)aniline
CID 166079560
6-bromo-2-[3-[(R)-cyclopropyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171753486
3-[2-(3-bromophenyl)-1,1-difluoropropyl]-4-methyl-1,2,4-triazole
CID 167404287
2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 166079619
3-[(4-methyl-1,2,4-triazol-3-yl)-(3-nitrosophenyl)methyl]cyclobutane-1-carboxylic acid
CID 167186986

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)-cyclobutylmethyl]-4-methyl-1,2,4-triazole?
The IUPAC name of 3-[(3-bromophenyl)-cyclobutylmethyl]-4-methyl-1,2,4-triazole (CID 155435209) is 3-[(3-bromophenyl)-cyclobutylmethyl]-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-[(3-bromophenyl)-cyclobutylmethyl]-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-[(3-bromophenyl)-cyclobutylmethyl]-4-methyl-1,2,4-triazole is Cn1cnnc1C(c1cccc(Br)c1)C1CCC1.
What is the InChIKey of 3-[(3-bromophenyl)-cyclobutylmethyl]-4-methyl-1,2,4-triazole?
The InChIKey is RFHYNDDHSALQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-18-9-16-17-14(18)13(10-4-2-5-10)11-6-3-7-12(15)8-11/h3,6-10,13H,2,4-5H2,1H3.
What are the key properties of 3-[(3-bromophenyl)-cyclobutylmethyl]-4-methyl-1,2,4-triazole?
3-[(3-bromophenyl)-cyclobutylmethyl]-4-methyl-1,2,4-triazole has a molecular weight of 306.21 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)-cyclobutylmethyl]-4-methyl-1,2,4-triazole is sourced from PubChem (CID 155435209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).