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

C11H18BrN3 — CID 114690670

IUPAC5-(3-bromo-1-methylcyclopentyl)-1-propyltriazole
SMILESCCCn1nncc1C1(C)CCC(Br)C1
InChIInChI=1S/C11H18BrN3/c1-3-6-15-10(8-13-14-15)11(2)5-4-9(12)7-11/h8-9H,3-7H2,1-2H3
InChIKeyJBDTWYOUIMWNCK-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.89
Rot. Bonds3

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

5-(3-bromo-1-methylcyclopentyl)-1-propyltriazole (PubChem CID 114690670) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 5-(3-bromo-1-methylcyclopentyl)-1-propyltriazole.

Molecular Properties

Compound Name5-(3-bromo-1-methylcyclopentyl)-1-propyltriazole
PubChem CID114690670
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name5-(3-bromo-1-methylcyclopentyl)-1-propyltriazole
SMILESCCCn1nncc1C1(C)CCC(Br)C1
InChIInChI=1S/C11H18BrN3/c1-3-6-15-10(8-13-14-15)11(2)5-4-9(12)7-11/h8-9H,3-7H2,1-2H3
InChIKeyJBDTWYOUIMWNCK-UHFFFAOYSA-N
XLogP2.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.89
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-methyltriazole
CID 114690669
2-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol
CID 130555176
3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol
CID 103564590
1-(3-propyltriazol-4-yl)cyclopentan-1-ol
CID 114684539
3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol
CID 114685047
1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
CID 114684610
5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole
CID 114688277
8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 114685110
2-[4-bromo-5-(3-bromo-1-methylcyclopentyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114665738
(2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol
CID 107005461
4,4-dimethyl-2-(3-propyltriazol-4-yl)cyclohexane-1-carboxylic acid
CID 114691375
1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
CID 106820939

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-1-methylcyclopentyl)-1-propyltriazole?
The IUPAC name of 5-(3-bromo-1-methylcyclopentyl)-1-propyltriazole (CID 114690670) is 5-(3-bromo-1-methylcyclopentyl)-1-propyltriazole.
What is the SMILES notation for 5-(3-bromo-1-methylcyclopentyl)-1-propyltriazole?
The canonical SMILES for 5-(3-bromo-1-methylcyclopentyl)-1-propyltriazole is CCCn1nncc1C1(C)CCC(Br)C1.
What is the InChIKey of 5-(3-bromo-1-methylcyclopentyl)-1-propyltriazole?
The InChIKey is JBDTWYOUIMWNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-3-6-15-10(8-13-14-15)11(2)5-4-9(12)7-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-(3-bromo-1-methylcyclopentyl)-1-propyltriazole?
5-(3-bromo-1-methylcyclopentyl)-1-propyltriazole has a molecular weight of 272.19 g/mol, XLogP of 2.89, 3 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-propyltriazole is sourced from PubChem (CID 114690670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).