5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole

C13H22ClN3 — CID 112570463

IUPAC5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole
SMILESCCCn1ncnc1CC(CCl)C1CCCC1
InChIInChI=1S/C13H22ClN3/c1-2-7-17-13(15-10-16-17)8-12(9-14)11-5-3-4-6-11/h10-12H,2-9H2,1H3
InChIKeyYBSFNJQCLVSEAN-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.28
Rot. Bonds6

About 5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole

5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole (PubChem CID 112570463) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole
PubChem CID112570463
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole
SMILESCCCn1ncnc1CC(CCl)C1CCCC1
InChIInChI=1S/C13H22ClN3/c1-2-7-17-13(15-10-16-17)8-12(9-14)11-5-3-4-6-11/h10-12H,2-9H2,1H3
InChIKeyYBSFNJQCLVSEAN-UHFFFAOYSA-N
XLogP3.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.28
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

2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
CID 112570348
1-cyclooctyl-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 80604052
5-[2-(chloromethyl)butyl]-1-propyl-1,2,4-triazole
CID 66034116
4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003205
2-cyclopentyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpropan-1-amine
CID 115926635
3-[1-chloro-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-yl]thiolane 1,1-dioxide
CID 66033517
1-piperidin-2-yl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 106634605
[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105265858
1-(3-bicyclo[3.1.0]hexanyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003165
[1-(oxan-2-yl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105267514
1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 80603042
1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 116723474

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole?
The IUPAC name of 5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole (CID 112570463) is 5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole.
What is the SMILES notation for 5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole?
The canonical SMILES for 5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole is CCCn1ncnc1CC(CCl)C1CCCC1.
What is the InChIKey of 5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole?
The InChIKey is YBSFNJQCLVSEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-2-7-17-13(15-10-16-17)8-12(9-14)11-5-3-4-6-11/h10-12H,2-9H2,1H3.
What are the key properties of 5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole?
5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole has a molecular weight of 255.79 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole is sourced from PubChem (CID 112570463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).