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

C14H23N3O — CID 65155188

IUPAC3-cyclopentyl-5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazole
SMILESCC1OC(C)C(c2nc(C3CCCC3)n[nH]2)C1C
InChIInChI=1S/C14H23N3O/c1-8-9(2)18-10(3)12(8)14-15-13(16-17-14)11-6-4-5-7-11/h8-12H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyQQVBKJHOAVTHPW-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.99
Rot. Bonds2

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

3-cyclopentyl-5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazole (PubChem CID 65155188) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-cyclopentyl-5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopentyl-5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazole
PubChem CID65155188
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-cyclopentyl-5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazole
SMILESCC1OC(C)C(c2nc(C3CCCC3)n[nH]2)C1C
InChIInChI=1S/C14H23N3O/c1-8-9(2)18-10(3)12(8)14-15-13(16-17-14)11-6-4-5-7-11/h8-12H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyQQVBKJHOAVTHPW-UHFFFAOYSA-N
XLogP2.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopentyl-5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazole (CID 65155188) is 3-cyclopentyl-5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopentyl-5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopentyl-5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazole is CC1OC(C)C(c2nc(C3CCCC3)n[nH]2)C1C.
What is the InChIKey of 3-cyclopentyl-5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazole?
The InChIKey is QQVBKJHOAVTHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-8-9(2)18-10(3)12(8)14-15-13(16-17-14)11-6-4-5-7-11/h8-12H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 3-cyclopentyl-5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazole?
3-cyclopentyl-5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazole has a molecular weight of 249.36 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 65155188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).