3-(2-chlorofuran-3-yl)-5-cyclopentyl-1H-1,2,4-triazole

C11H12ClN3O — CID 106688164

IUPAC3-(2-chlorofuran-3-yl)-5-cyclopentyl-1H-1,2,4-triazole
SMILESClc1occc1-c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C11H12ClN3O/c12-9-8(5-6-16-9)11-13-10(14-15-11)7-3-1-2-4-7/h5-7H,1-4H2,(H,13,14,15)
InChIKeyAMMZWIZNBNGFLV-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.38
Rot. Bonds2

About 3-(2-chlorofuran-3-yl)-5-cyclopentyl-1H-1,2,4-triazole

3-(2-chlorofuran-3-yl)-5-cyclopentyl-1H-1,2,4-triazole (PubChem CID 106688164) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-(2-chlorofuran-3-yl)-5-cyclopentyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-chlorofuran-3-yl)-5-cyclopentyl-1H-1,2,4-triazole
PubChem CID106688164
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name3-(2-chlorofuran-3-yl)-5-cyclopentyl-1H-1,2,4-triazole
SMILESClc1occc1-c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C11H12ClN3O/c12-9-8(5-6-16-9)11-13-10(14-15-11)7-3-1-2-4-7/h5-7H,1-4H2,(H,13,14,15)
InChIKeyAMMZWIZNBNGFLV-UHFFFAOYSA-N
XLogP3.38
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorofuran-3-yl)-5-cyclopentyl-1H-1,2,4-triazole?
The IUPAC name of 3-(2-chlorofuran-3-yl)-5-cyclopentyl-1H-1,2,4-triazole (CID 106688164) is 3-(2-chlorofuran-3-yl)-5-cyclopentyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(2-chlorofuran-3-yl)-5-cyclopentyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(2-chlorofuran-3-yl)-5-cyclopentyl-1H-1,2,4-triazole is Clc1occc1-c1n[nH]c(C2CCCC2)n1.
What is the InChIKey of 3-(2-chlorofuran-3-yl)-5-cyclopentyl-1H-1,2,4-triazole?
The InChIKey is AMMZWIZNBNGFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-9-8(5-6-16-9)11-13-10(14-15-11)7-3-1-2-4-7/h5-7H,1-4H2,(H,13,14,15).
What are the key properties of 3-(2-chlorofuran-3-yl)-5-cyclopentyl-1H-1,2,4-triazole?
3-(2-chlorofuran-3-yl)-5-cyclopentyl-1H-1,2,4-triazole has a molecular weight of 237.69 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorofuran-3-yl)-5-cyclopentyl-1H-1,2,4-triazole is sourced from PubChem (CID 106688164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).