5-(1-cyclopentylpyrrolidin-2-yl)-3-phenyl-1H-1,2,4-triazole

C17H22N4 — CID 87052064

IUPAC5-(1-cyclopentylpyrrolidin-2-yl)-3-phenyl-1H-1,2,4-triazole
SMILESc1ccc(-c2n[nH]c(C3CCCN3C3CCCC3)n2)cc1
InChIInChI=1S/C17H22N4/c1-2-7-13(8-3-1)16-18-17(20-19-16)15-11-6-12-21(15)14-9-4-5-10-14/h1-3,7-8,14-15H,4-6,9-12H2,(H,18,19,20)
InChIKeyZMXALZJMNNQTMC-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.55
Rot. Bonds3

About 5-(1-cyclopentylpyrrolidin-2-yl)-3-phenyl-1H-1,2,4-triazole

5-(1-cyclopentylpyrrolidin-2-yl)-3-phenyl-1H-1,2,4-triazole (PubChem CID 87052064) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-(1-cyclopentylpyrrolidin-2-yl)-3-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(1-cyclopentylpyrrolidin-2-yl)-3-phenyl-1H-1,2,4-triazole
PubChem CID87052064
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name5-(1-cyclopentylpyrrolidin-2-yl)-3-phenyl-1H-1,2,4-triazole
SMILESc1ccc(-c2n[nH]c(C3CCCN3C3CCCC3)n2)cc1
InChIInChI=1S/C17H22N4/c1-2-7-13(8-3-1)16-18-17(20-19-16)15-11-6-12-21(15)14-9-4-5-10-14/h1-3,7-8,14-15H,4-6,9-12H2,(H,18,19,20)
InChIKeyZMXALZJMNNQTMC-UHFFFAOYSA-N
XLogP3.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopentylpyrrolidin-2-yl)-3-phenyl-1H-1,2,4-triazole?
The IUPAC name of 5-(1-cyclopentylpyrrolidin-2-yl)-3-phenyl-1H-1,2,4-triazole (CID 87052064) is 5-(1-cyclopentylpyrrolidin-2-yl)-3-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(1-cyclopentylpyrrolidin-2-yl)-3-phenyl-1H-1,2,4-triazole?
The canonical SMILES for 5-(1-cyclopentylpyrrolidin-2-yl)-3-phenyl-1H-1,2,4-triazole is c1ccc(-c2n[nH]c(C3CCCN3C3CCCC3)n2)cc1.
What is the InChIKey of 5-(1-cyclopentylpyrrolidin-2-yl)-3-phenyl-1H-1,2,4-triazole?
The InChIKey is ZMXALZJMNNQTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-7-13(8-3-1)16-18-17(20-19-16)15-11-6-12-21(15)14-9-4-5-10-14/h1-3,7-8,14-15H,4-6,9-12H2,(H,18,19,20).
What are the key properties of 5-(1-cyclopentylpyrrolidin-2-yl)-3-phenyl-1H-1,2,4-triazole?
5-(1-cyclopentylpyrrolidin-2-yl)-3-phenyl-1H-1,2,4-triazole has a molecular weight of 282.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopentylpyrrolidin-2-yl)-3-phenyl-1H-1,2,4-triazole is sourced from PubChem (CID 87052064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).