2-(5-cyclobutyl-3-pentyl-1,2,4-triazol-1-yl)ethanol

C13H23N3O — CID 86285547

IUPAC2-(5-cyclobutyl-3-pentyl-1,2,4-triazol-1-yl)ethanol
SMILESCCCCCc1nc(C2CCC2)n(CCO)n1
InChIInChI=1S/C13H23N3O/c1-2-3-4-8-12-14-13(11-6-5-7-11)16(15-12)9-10-17/h11,17H,2-10H2,1H3
InChIKeyLZSPUXQFZMOIOE-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.27
Rot. Bonds7

About 2-(5-cyclobutyl-3-pentyl-1,2,4-triazol-1-yl)ethanol

2-(5-cyclobutyl-3-pentyl-1,2,4-triazol-1-yl)ethanol (PubChem CID 86285547) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(5-cyclobutyl-3-pentyl-1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-cyclobutyl-3-pentyl-1,2,4-triazol-1-yl)ethanol
PubChem CID86285547
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(5-cyclobutyl-3-pentyl-1,2,4-triazol-1-yl)ethanol
SMILESCCCCCc1nc(C2CCC2)n(CCO)n1
InChIInChI=1S/C13H23N3O/c1-2-3-4-8-12-14-13(11-6-5-7-11)16(15-12)9-10-17/h11,17H,2-10H2,1H3
InChIKeyLZSPUXQFZMOIOE-UHFFFAOYSA-N
XLogP2.27
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclobutyl-3-pentyl-1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 2-(5-cyclobutyl-3-pentyl-1,2,4-triazol-1-yl)ethanol (CID 86285547) is 2-(5-cyclobutyl-3-pentyl-1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-cyclobutyl-3-pentyl-1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 2-(5-cyclobutyl-3-pentyl-1,2,4-triazol-1-yl)ethanol is CCCCCc1nc(C2CCC2)n(CCO)n1.
What is the InChIKey of 2-(5-cyclobutyl-3-pentyl-1,2,4-triazol-1-yl)ethanol?
The InChIKey is LZSPUXQFZMOIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-3-4-8-12-14-13(11-6-5-7-11)16(15-12)9-10-17/h11,17H,2-10H2,1H3.
What are the key properties of 2-(5-cyclobutyl-3-pentyl-1,2,4-triazol-1-yl)ethanol?
2-(5-cyclobutyl-3-pentyl-1,2,4-triazol-1-yl)ethanol has a molecular weight of 237.35 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclobutyl-3-pentyl-1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 86285547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).