1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid

C10H18N4O4 — CID 103243863

IUPAC1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid
SMILESCOCCOCCNCCn1cc(C(=O)O)nn1
InChIInChI=1S/C10H18N4O4/c1-17-6-7-18-5-3-11-2-4-14-8-9(10(15)16)12-13-14/h8,11H,2-7H2,1H3,(H,15,16)
InChIKeyVVQXNVIAXFFVBM-UHFFFAOYSA-N
MW258.28 g/mol
LogP-0.77
Rot. Bonds10

About 1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid

1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid (PubChem CID 103243863) has the molecular formula C10H18N4O4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid
PubChem CID103243863
Molecular FormulaC10H18N4O4
Molecular Weight258.28 g/mol
Exact Mass258.13
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid
SMILESCOCCOCCNCCn1cc(C(=O)O)nn1
InChIInChI=1S/C10H18N4O4/c1-17-6-7-18-5-3-11-2-4-14-8-9(10(15)16)12-13-14/h8,11H,2-7H2,1H3,(H,15,16)
InChIKeyVVQXNVIAXFFVBM-UHFFFAOYSA-N
XLogP-0.77
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-(2-methoxyethoxy)butylamino]ethyl]triazole-4-carboxylic acid
CID 103265893
1-[2-[2-[2-(dimethylamino)ethoxy]ethylamino]ethyl]triazole-4-carboxylic acid
CID 114128422
1-[2-(2-methoxyethoxyamino)ethyl]triazole-4-carboxylic acid
CID 103261684
1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid
CID 103176665
1-[2-(3-hydroxypropylamino)ethyl]triazole-4-carboxylic acid
CID 103238187
methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate
CID 104601014
1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carboxylic acid
CID 43445808
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 130468342
1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid
CID 61418872
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole-4-carboxylic acid
CID 112586978
1-[2-[2-[ethyl(methyl)amino]ethylamino]ethyl]triazole-4-carboxylic acid
CID 103249170
1-[2-[(2-ethoxy-2-oxoethyl)amino]ethyl]triazole-4-carboxylic acid
CID 103239565

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid (CID 103243863) is 1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid is COCCOCCNCCn1cc(C(=O)O)nn1.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid?
The InChIKey is VVQXNVIAXFFVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4/c1-17-6-7-18-5-3-11-2-4-14-8-9(10(15)16)12-13-14/h8,11H,2-7H2,1H3,(H,15,16).
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid?
1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of -0.77, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 103243863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).