3-(3-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine

C15H19BrN4 — CID 106704232

IUPAC3-(3-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
SMILESCCn1cnnc1CNC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C15H19BrN4/c1-2-20-10-18-19-15(20)9-17-14-7-12(8-14)11-4-3-5-13(16)6-11/h3-6,10,12,14,17H,2,7-9H2,1H3
InChIKeyFURHRRFOJUHSKL-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.10
Rot. Bonds5

About 3-(3-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine

3-(3-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine (PubChem CID 106704232) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
PubChem CID106704232
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name3-(3-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
SMILESCCn1cnnc1CNC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C15H19BrN4/c1-2-20-10-18-19-15(20)9-17-14-7-12(8-14)11-4-3-5-13(16)6-11/h3-6,10,12,14,17H,2,7-9H2,1H3
InChIKeyFURHRRFOJUHSKL-UHFFFAOYSA-N
XLogP3.10
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 104527000
3-(3-bromophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115989351
2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide
CID 106704308
3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide
CID 106704288
3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632521
3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine
CID 63452022
3-(3-bromophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]cyclobutan-1-amine
CID 65246365
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2-dimethylpiperidin-4-amine
CID 113260212
3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
CID 63821467
N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634641
2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
CID 115355958
3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 60856760

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine (CID 106704232) is 3-(3-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine is CCn1cnnc1CNC1CC(c2cccc(Br)c2)C1.
What is the InChIKey of 3-(3-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is FURHRRFOJUHSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-2-20-10-18-19-15(20)9-17-14-7-12(8-14)11-4-3-5-13(16)6-11/h3-6,10,12,14,17H,2,7-9H2,1H3.
What are the key properties of 3-(3-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
3-(3-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 335.25 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 106704232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).