6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol

C11H22N4O2 — CID 114008894

IUPAC6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
SMILESOCCCCCCNCc1cn(CCO)nn1
InChIInChI=1S/C11H22N4O2/c16-7-4-2-1-3-5-12-9-11-10-15(6-8-17)14-13-11/h10,12,16-17H,1-9H2
InChIKeyDWPSLAAJSLQOQP-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.09
Rot. Bonds10

About 6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol

6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol (PubChem CID 114008894) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
PubChem CID114008894
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
SMILESOCCCCCCNCc1cn(CCO)nn1
InChIInChI=1S/C11H22N4O2/c16-7-4-2-1-3-5-12-9-11-10-15(6-8-17)14-13-11/h10,12,16-17H,1-9H2
InChIKeyDWPSLAAJSLQOQP-UHFFFAOYSA-N
XLogP-0.09
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
CID 66269810
2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol
CID 66270359
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol
CID 66268074
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propanenitrile
CID 66270547
2-[4-[(2-methylsulfanylethylamino)methyl]triazol-1-yl]ethanol
CID 66270211
4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol
CID 66269646
2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol
CID 66269221
2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol
CID 104759404
3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268914
2-[4-[(prop-2-ynylamino)methyl]triazol-1-yl]ethanol
CID 66270343

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol?
The IUPAC name of 6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol (CID 114008894) is 6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol.
What is the SMILES notation for 6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol?
The canonical SMILES for 6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol is OCCCCCCNCc1cn(CCO)nn1.
What is the InChIKey of 6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol?
The InChIKey is DWPSLAAJSLQOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c16-7-4-2-1-3-5-12-9-11-10-15(6-8-17)14-13-11/h10,12,16-17H,1-9H2.
What are the key properties of 6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol?
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol has a molecular weight of 242.32 g/mol, XLogP of -0.09, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol is sourced from PubChem (CID 114008894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).