5-(3-bromo-1-methylcyclopentyl)-1-ethyl-1,2,4-triazole

C10H16BrN3 — CID 130530052

IUPAC5-(3-bromo-1-methylcyclopentyl)-1-ethyl-1,2,4-triazole
SMILESCCn1ncnc1C1(C)CCC(Br)C1
InChIInChI=1S/C10H16BrN3/c1-3-14-9(12-7-13-14)10(2)5-4-8(11)6-10/h7-8H,3-6H2,1-2H3
InChIKeySZIBMTFSAQFESR-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.50
Rot. Bonds2

About 5-(3-bromo-1-methylcyclopentyl)-1-ethyl-1,2,4-triazole

5-(3-bromo-1-methylcyclopentyl)-1-ethyl-1,2,4-triazole (PubChem CID 130530052) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 5-(3-bromo-1-methylcyclopentyl)-1-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-bromo-1-methylcyclopentyl)-1-ethyl-1,2,4-triazole
PubChem CID130530052
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name5-(3-bromo-1-methylcyclopentyl)-1-ethyl-1,2,4-triazole
SMILESCCn1ncnc1C1(C)CCC(Br)C1
InChIInChI=1S/C10H16BrN3/c1-3-14-9(12-7-13-14)10(2)5-4-8(11)6-10/h7-8H,3-6H2,1-2H3
InChIKeySZIBMTFSAQFESR-UHFFFAOYSA-N
XLogP2.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.50
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

1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
CID 126978879
1-(2-ethyl-1,2,4-triazol-3-yl)-3-propan-2-ylcyclohexan-1-ol
CID 112743911
5-(3-bromo-1-methylcyclopentyl)-1-propyltriazole
CID 114690670
2-[4-bromo-5-(3-bromo-1-methylcyclopentyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114665738
[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 81012067
5-(3-bromo-1-methylcyclopentyl)-1-methyltriazole
CID 114690669
5-cyclobutyl-1-ethyl-1,2,4-triazole
CID 101129673
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401406
3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclopentan-1-amine
CID 112565739
1-(3-bromo-1-methylcyclopentyl)-2,4,5-trimethylbenzene
CID 116540535
5-(3-bromo-1-methylcyclopentyl)-4-methoxy-1-propan-2-ylpyrazole
CID 114665739
(4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine
CID 99933859

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-1-methylcyclopentyl)-1-ethyl-1,2,4-triazole?
The IUPAC name of 5-(3-bromo-1-methylcyclopentyl)-1-ethyl-1,2,4-triazole (CID 130530052) is 5-(3-bromo-1-methylcyclopentyl)-1-ethyl-1,2,4-triazole.
What is the SMILES notation for 5-(3-bromo-1-methylcyclopentyl)-1-ethyl-1,2,4-triazole?
The canonical SMILES for 5-(3-bromo-1-methylcyclopentyl)-1-ethyl-1,2,4-triazole is CCn1ncnc1C1(C)CCC(Br)C1.
What is the InChIKey of 5-(3-bromo-1-methylcyclopentyl)-1-ethyl-1,2,4-triazole?
The InChIKey is SZIBMTFSAQFESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-3-14-9(12-7-13-14)10(2)5-4-8(11)6-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-(3-bromo-1-methylcyclopentyl)-1-ethyl-1,2,4-triazole?
5-(3-bromo-1-methylcyclopentyl)-1-ethyl-1,2,4-triazole has a molecular weight of 258.16 g/mol, XLogP of 2.50, 2 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-ethyl-1,2,4-triazole is sourced from PubChem (CID 130530052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).