2-[5-[2-(azocan-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol

C13H24N4O — CID 72843462

IUPAC2-[5-[2-(azocan-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1ncnc1CCN1CCCCCCC1
InChIInChI=1S/C13H24N4O/c18-11-10-17-13(14-12-15-17)6-9-16-7-4-2-1-3-5-8-16/h12,18H,1-11H2
InChIKeyUWIQPQOUDSAOAL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.08
Rot. Bonds5

About 2-[5-[2-(azocan-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol

2-[5-[2-(azocan-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol (PubChem CID 72843462) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[5-[2-(azocan-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-(azocan-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol
PubChem CID72843462
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[5-[2-(azocan-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1ncnc1CCN1CCCCCCC1
InChIInChI=1S/C13H24N4O/c18-11-10-17-13(14-12-15-17)6-9-16-7-4-2-1-3-5-8-16/h12,18H,1-11H2
InChIKeyUWIQPQOUDSAOAL-UHFFFAOYSA-N
XLogP1.08
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(azocan-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[5-[2-(azocan-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol (CID 72843462) is 2-[5-[2-(azocan-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[2-(azocan-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[2-(azocan-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol is OCCn1ncnc1CCN1CCCCCCC1.
What is the InChIKey of 2-[5-[2-(azocan-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol?
The InChIKey is UWIQPQOUDSAOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c18-11-10-17-13(14-12-15-17)6-9-16-7-4-2-1-3-5-8-16/h12,18H,1-11H2.
What are the key properties of 2-[5-[2-(azocan-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol?
2-[5-[2-(azocan-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol has a molecular weight of 252.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(azocan-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 72843462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).