2-[2-[2-[2-(4-phenyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine

C16H24N4O3 — CID 134957558

IUPAC2-[2-[2-[2-(4-phenyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOCCn1cc(-c2ccccc2)nn1
InChIInChI=1S/C16H24N4O3/c17-6-8-21-10-12-23-13-11-22-9-7-20-14-16(18-19-20)15-4-2-1-3-5-15/h1-5,14H,6-13,17H2
InChIKeyMIAMVGDDWWUQBO-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.95
Rot. Bonds12

About 2-[2-[2-[2-(4-phenyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-(4-phenyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 134957558) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-[2-[2-(4-phenyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-(4-phenyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID134957558
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-[2-[2-[2-(4-phenyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOCCn1cc(-c2ccccc2)nn1
InChIInChI=1S/C16H24N4O3/c17-6-8-21-10-12-23-13-11-22-9-7-20-14-16(18-19-20)15-4-2-1-3-5-15/h1-5,14H,6-13,17H2
InChIKeyMIAMVGDDWWUQBO-UHFFFAOYSA-N
XLogP0.95
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(4-phenyltriazol-1-yl)acetate
CID 1228917
2-[2-[4-[[Benzyl-[[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethoxy]ethanol
CID 155531672
(2S,3S,4R)-2-[(4-phenyltriazol-1-yl)methyl]pyrrolidine-3,4-diol
CID 145967390
methyl 2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetate
CID 53318640
Ethenyl-oxido-[8-(4-phenyltriazol-1-yl)octylimino]azanium
CID 151641742
1-Hexadecyl-4-phenyltriazole
CID 90643456
1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-4-(3-methylphenyl)triazole
CID 134139094
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-(3-methylphenyl)triazole
CID 134145915
3-(1-Benzyltriazol-4-yl)propan-1-amine;hydrochloride
CID 137646404
(2R,3R,4S)-2-[(4-phenyltriazol-1-yl)methyl]pyrrolidine-3,4-diol
CID 145971663
(2R,3S,4R)-2-[(4-phenyltriazol-1-yl)methyl]pyrrolidine-3,4-diol
CID 145978797
4-phenyl-1-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole
CID 145986737

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(4-phenyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-(4-phenyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine (CID 134957558) is 2-[2-[2-[2-(4-phenyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-(4-phenyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-(4-phenyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine is NCCOCCOCCOCCn1cc(-c2ccccc2)nn1.
What is the InChIKey of 2-[2-[2-[2-(4-phenyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is MIAMVGDDWWUQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c17-6-8-21-10-12-23-13-11-22-9-7-20-14-16(18-19-20)15-4-2-1-3-5-15/h1-5,14H,6-13,17H2.
What are the key properties of 2-[2-[2-[2-(4-phenyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-(4-phenyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 320.39 g/mol, XLogP of 0.95, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(4-phenyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 134957558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).