2-[2-[(2-phenyltriazol-4-yl)methylamino]ethoxy]ethanol

C13H18N4O2 — CID 28774706

IUPAC2-[2-[(2-phenyltriazol-4-yl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1cnn(-c2ccccc2)n1
InChIInChI=1S/C13H18N4O2/c18-7-9-19-8-6-14-10-12-11-15-17(16-12)13-4-2-1-3-5-13/h1-5,11,14,18H,6-10H2
InChIKeyKHNOPSKQEXSWNY-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.37
Rot. Bonds8

About 2-[2-[(2-phenyltriazol-4-yl)methylamino]ethoxy]ethanol

2-[2-[(2-phenyltriazol-4-yl)methylamino]ethoxy]ethanol (PubChem CID 28774706) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2-[(2-phenyltriazol-4-yl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-phenyltriazol-4-yl)methylamino]ethoxy]ethanol
PubChem CID28774706
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[2-[(2-phenyltriazol-4-yl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1cnn(-c2ccccc2)n1
InChIInChI=1S/C13H18N4O2/c18-7-9-19-8-6-14-10-12-11-15-17(16-12)13-4-2-1-3-5-13/h1-5,11,14,18H,6-10H2
InChIKeyKHNOPSKQEXSWNY-UHFFFAOYSA-N
XLogP0.37
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
CID 71758233
3,3-dimethyl-N-[(2-phenyltriazol-4-yl)methyl]butan-1-amine
CID 115600357
N-methyl-N'-[(2-phenyltriazol-4-yl)methyl]propane-1,3-diamine
CID 113410140
methyl 4-[(2-phenyltriazol-4-yl)methylamino]butanoate
CID 60782497
4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine
CID 54913963
3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine
CID 115639415
2-(hydroxymethyl)-2-[(2-phenyltriazol-4-yl)methylamino]propane-1,3-diol
CID 107850523
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
2-ethyl-2-[[(2-phenyltriazol-4-yl)methylamino]methyl]butan-1-ol
CID 103845600
1-[(2-phenyltriazol-4-yl)methylamino]butan-2-ol
CID 113492048
2-chloro-N-[(2-phenyltriazol-4-yl)methyl]acetamide
CID 39871069
2-[(2-phenyltriazol-4-yl)methylamino]propanoic acid
CID 54959625

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-phenyltriazol-4-yl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2-phenyltriazol-4-yl)methylamino]ethoxy]ethanol (CID 28774706) is 2-[2-[(2-phenyltriazol-4-yl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-phenyltriazol-4-yl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2-phenyltriazol-4-yl)methylamino]ethoxy]ethanol is OCCOCCNCc1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-[2-[(2-phenyltriazol-4-yl)methylamino]ethoxy]ethanol?
The InChIKey is KHNOPSKQEXSWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-7-9-19-8-6-14-10-12-11-15-17(16-12)13-4-2-1-3-5-13/h1-5,11,14,18H,6-10H2.
What are the key properties of 2-[2-[(2-phenyltriazol-4-yl)methylamino]ethoxy]ethanol?
2-[2-[(2-phenyltriazol-4-yl)methylamino]ethoxy]ethanol has a molecular weight of 262.31 g/mol, XLogP of 0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-phenyltriazol-4-yl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 28774706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).