1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid

C11H19N3O5 — CID 103176665

IUPAC1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid
SMILESCOCCCOCCOCCn1cc(C(=O)O)nn1
InChIInChI=1S/C11H19N3O5/c1-17-4-2-5-18-7-8-19-6-3-14-9-10(11(15)16)12-13-14/h9H,2-8H2,1H3,(H,15,16)
InChIKeyDGRXZWNWHVHEOK-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.05
Rot. Bonds11

About 1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid

1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid (PubChem CID 103176665) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid
PubChem CID103176665
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid
SMILESCOCCCOCCOCCn1cc(C(=O)O)nn1
InChIInChI=1S/C11H19N3O5/c1-17-4-2-5-18-7-8-19-6-3-14-9-10(11(15)16)12-13-14/h9H,2-8H2,1H3,(H,15,16)
InChIKeyDGRXZWNWHVHEOK-UHFFFAOYSA-N
XLogP0.05
TPSA95.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.05
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

1-[1-[2-(3-methoxypropoxy)ethyl]triazol-4-yl]ethanone
CID 164663036
1-[2-[4-(2-methoxyethoxy)butylamino]ethyl]triazole-4-carboxylic acid
CID 103265893
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole-4-carboxylic acid
CID 112586978
methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate
CID 104601014
1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid
CID 103243863
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 130468342
2,2,2-trifluoro-1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethanone
CID 104566929
1-[2-(2-methoxyethoxyamino)ethyl]triazole-4-carboxylic acid
CID 103261684
1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carboxylic acid
CID 43151029
1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carboxylic acid
CID 43445808
1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid
CID 61418872
1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid
CID 61446251

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid (CID 103176665) is 1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid is COCCCOCCOCCn1cc(C(=O)O)nn1.
What is the InChIKey of 1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid?
The InChIKey is DGRXZWNWHVHEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-17-4-2-5-18-7-8-19-6-3-14-9-10(11(15)16)12-13-14/h9H,2-8H2,1H3,(H,15,16).
What are the key properties of 1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid?
1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 0.05, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 103176665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).