2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol

C11H20N4O2 — CID 114118855

IUPAC2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol
SMILESCCOC1CC(NCc2cn(CCO)nn2)C1
InChIInChI=1S/C11H20N4O2/c1-2-17-11-5-9(6-11)12-7-10-8-15(3-4-16)14-13-10/h8-9,11-12,16H,2-7H2,1H3
InChIKeyVOKMRKGPULHVDB-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.07
Rot. Bonds7

About 2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol

2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol (PubChem CID 114118855) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol
PubChem CID114118855
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol
SMILESCCOC1CC(NCc2cn(CCO)nn2)C1
InChIInChI=1S/C11H20N4O2/c1-2-17-11-5-9(6-11)12-7-10-8-15(3-4-16)14-13-10/h8-9,11-12,16H,2-7H2,1H3
InChIKeyVOKMRKGPULHVDB-UHFFFAOYSA-N
XLogP-0.07
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol (CID 114118855) is 2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol is CCOC1CC(NCc2cn(CCO)nn2)C1.
What is the InChIKey of 2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol?
The InChIKey is VOKMRKGPULHVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-17-11-5-9(6-11)12-7-10-8-15(3-4-16)14-13-10/h8-9,11-12,16H,2-7H2,1H3.
What are the key properties of 2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol?
2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol has a molecular weight of 240.31 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 114118855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).