5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole

C11H18ClN3 — CID 114690653

IUPAC5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole
SMILESCCCn1nncc1C1CCC(Cl)C1C
InChIInChI=1S/C11H18ClN3/c1-3-6-15-11(7-13-14-15)9-4-5-10(12)8(9)2/h7-10H,3-6H2,1-2H3
InChIKeyGZQJULDHRCJOHL-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.81
Rot. Bonds3

About 5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole

5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole (PubChem CID 114690653) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole.

Molecular Properties

Compound Name5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole
PubChem CID114690653
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole
SMILESCCCn1nncc1C1CCC(Cl)C1C
InChIInChI=1S/C11H18ClN3/c1-3-6-15-11(7-13-14-15)9-4-5-10(12)8(9)2/h7-10H,3-6H2,1-2H3
InChIKeyGZQJULDHRCJOHL-UHFFFAOYSA-N
XLogP2.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole?
The IUPAC name of 5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole (CID 114690653) is 5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole.
What is the SMILES notation for 5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole?
The canonical SMILES for 5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole is CCCn1nncc1C1CCC(Cl)C1C.
What is the InChIKey of 5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole?
The InChIKey is GZQJULDHRCJOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-3-6-15-11(7-13-14-15)9-4-5-10(12)8(9)2/h7-10H,3-6H2,1-2H3.
What are the key properties of 5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole?
5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole has a molecular weight of 227.74 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole is sourced from PubChem (CID 114690653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).