5-(3-bromo-1-methylcyclopentyl)-1-methyltriazole

C9H14BrN3 — CID 114690669

IUPAC5-(3-bromo-1-methylcyclopentyl)-1-methyltriazole
SMILESCn1nncc1C1(C)CCC(Br)C1
InChIInChI=1S/C9H14BrN3/c1-9(4-3-7(10)5-9)8-6-11-12-13(8)2/h6-7H,3-5H2,1-2H3
InChIKeyAPUAOMIYWNDAIJ-UHFFFAOYSA-N
MW244.14 g/mol
LogP2.02
Rot. Bonds1

About 5-(3-bromo-1-methylcyclopentyl)-1-methyltriazole

5-(3-bromo-1-methylcyclopentyl)-1-methyltriazole (PubChem CID 114690669) has the molecular formula C9H14BrN3 and a molecular weight of 244.14 g/mol. Its IUPAC name is 5-(3-bromo-1-methylcyclopentyl)-1-methyltriazole.

Molecular Properties

Compound Name5-(3-bromo-1-methylcyclopentyl)-1-methyltriazole
PubChem CID114690669
Molecular FormulaC9H14BrN3
Molecular Weight244.14 g/mol
Exact Mass243.04
IUPAC Name5-(3-bromo-1-methylcyclopentyl)-1-methyltriazole
SMILESCn1nncc1C1(C)CCC(Br)C1
InChIInChI=1S/C9H14BrN3/c1-9(4-3-7(10)5-9)8-6-11-12-13(8)2/h6-7H,3-5H2,1-2H3
InChIKeyAPUAOMIYWNDAIJ-UHFFFAOYSA-N
XLogP2.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(3-bromo-1-methylcyclopentyl)-1-propyltriazole
CID 114690670
3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
CID 114685052
3-(3-bromo-1-methylcyclopentyl)-5-fluoropyridine
CID 116540734
5-(3-bromo-1-methylcyclopentyl)-2-methylpyridine
CID 116540617
3-(3-bromo-1-methylcyclopentyl)pyridine
CID 116540502
3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
CID 106874064
1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene
CID 116540616
3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclopentan-1-ol
CID 114685262
2-[4-bromo-5-(3-bromo-1-methylcyclopentyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114665738
2-(3-bromo-1-methylcyclopentyl)-5-chlorothiophene
CID 116540633
1-(3-bromo-1-methylcyclopentyl)-2,4,5-trimethylbenzene
CID 116540535
5-(3-bromo-1-methylcyclopentyl)-1-ethyl-1,2,4-triazole
CID 130530052

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-1-methylcyclopentyl)-1-methyltriazole?
The IUPAC name of 5-(3-bromo-1-methylcyclopentyl)-1-methyltriazole (CID 114690669) is 5-(3-bromo-1-methylcyclopentyl)-1-methyltriazole.
What is the SMILES notation for 5-(3-bromo-1-methylcyclopentyl)-1-methyltriazole?
The canonical SMILES for 5-(3-bromo-1-methylcyclopentyl)-1-methyltriazole is Cn1nncc1C1(C)CCC(Br)C1.
What is the InChIKey of 5-(3-bromo-1-methylcyclopentyl)-1-methyltriazole?
The InChIKey is APUAOMIYWNDAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3/c1-9(4-3-7(10)5-9)8-6-11-12-13(8)2/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-(3-bromo-1-methylcyclopentyl)-1-methyltriazole?
5-(3-bromo-1-methylcyclopentyl)-1-methyltriazole has a molecular weight of 244.14 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-1-methylcyclopentyl)-1-methyltriazole is sourced from PubChem (CID 114690669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).