2-[3-cyclopentyl-5-(oxolan-3-yl)-1,2,4-triazol-1-yl]ethanol

C13H21N3O2 — CID 72867529

IUPAC2-[3-cyclopentyl-5-(oxolan-3-yl)-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1nc(C2CCCC2)nc1C1CCOC1
InChIInChI=1S/C13H21N3O2/c17-7-6-16-13(11-5-8-18-9-11)14-12(15-16)10-3-1-2-4-10/h10-11,17H,1-9H2
InChIKeyWSRXBHKLILTVER-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.43
Rot. Bonds4

About 2-[3-cyclopentyl-5-(oxolan-3-yl)-1,2,4-triazol-1-yl]ethanol

2-[3-cyclopentyl-5-(oxolan-3-yl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 72867529) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[3-cyclopentyl-5-(oxolan-3-yl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-cyclopentyl-5-(oxolan-3-yl)-1,2,4-triazol-1-yl]ethanol
PubChem CID72867529
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[3-cyclopentyl-5-(oxolan-3-yl)-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1nc(C2CCCC2)nc1C1CCOC1
InChIInChI=1S/C13H21N3O2/c17-7-6-16-13(11-5-8-18-9-11)14-12(15-16)10-3-1-2-4-10/h10-11,17H,1-9H2
InChIKeyWSRXBHKLILTVER-UHFFFAOYSA-N
XLogP1.43
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopentyl-5-(oxolan-3-yl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-cyclopentyl-5-(oxolan-3-yl)-1,2,4-triazol-1-yl]ethanol (CID 72867529) is 2-[3-cyclopentyl-5-(oxolan-3-yl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-cyclopentyl-5-(oxolan-3-yl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-cyclopentyl-5-(oxolan-3-yl)-1,2,4-triazol-1-yl]ethanol is OCCn1nc(C2CCCC2)nc1C1CCOC1.
What is the InChIKey of 2-[3-cyclopentyl-5-(oxolan-3-yl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is WSRXBHKLILTVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-7-6-16-13(11-5-8-18-9-11)14-12(15-16)10-3-1-2-4-10/h10-11,17H,1-9H2.
What are the key properties of 2-[3-cyclopentyl-5-(oxolan-3-yl)-1,2,4-triazol-1-yl]ethanol?
2-[3-cyclopentyl-5-(oxolan-3-yl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopentyl-5-(oxolan-3-yl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 72867529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).