5-(2-cyclopentylethyl)-1H-1,2,4-triazole

C9H15N3 — CID 118564357

IUPAC5-(2-cyclopentylethyl)-1H-1,2,4-triazole
SMILESc1n[nH]c(CCC2CCCC2)n1
InChIInChI=1S/C9H15N3/c1-2-4-8(3-1)5-6-9-10-7-11-12-9/h7-8H,1-6H2,(H,10,11,12)
InChIKeyLAXCYKCFWVYYCQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.93
Rot. Bonds3

About 5-(2-cyclopentylethyl)-1H-1,2,4-triazole

5-(2-cyclopentylethyl)-1H-1,2,4-triazole (PubChem CID 118564357) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-(2-cyclopentylethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-cyclopentylethyl)-1H-1,2,4-triazole
PubChem CID118564357
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name5-(2-cyclopentylethyl)-1H-1,2,4-triazole
SMILESc1n[nH]c(CCC2CCCC2)n1
InChIInChI=1S/C9H15N3/c1-2-4-8(3-1)5-6-9-10-7-11-12-9/h7-8H,1-6H2,(H,10,11,12)
InChIKeyLAXCYKCFWVYYCQ-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(2-cyclopentylethyl)-1H-1,2,4-triazole (CID 118564357) is 5-(2-cyclopentylethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-cyclopentylethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-cyclopentylethyl)-1H-1,2,4-triazole is c1n[nH]c(CCC2CCCC2)n1.
What is the InChIKey of 5-(2-cyclopentylethyl)-1H-1,2,4-triazole?
The InChIKey is LAXCYKCFWVYYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-4-8(3-1)5-6-9-10-7-11-12-9/h7-8H,1-6H2,(H,10,11,12).
What are the key properties of 5-(2-cyclopentylethyl)-1H-1,2,4-triazole?
5-(2-cyclopentylethyl)-1H-1,2,4-triazole has a molecular weight of 165.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 118564357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).