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

C8H14N4O4 — CID 103261684

IUPAC1-[2-(2-methoxyethoxyamino)ethyl]triazole-4-carboxylic acid
SMILESCOCCONCCn1cc(C(=O)O)nn1
InChIInChI=1S/C8H14N4O4/c1-15-4-5-16-9-2-3-12-6-7(8(13)14)10-11-12/h6,9H,2-5H2,1H3,(H,13,14)
InChIKeyPHSQNLATBHZJLY-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.86
Rot. Bonds8

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

1-[2-(2-methoxyethoxyamino)ethyl]triazole-4-carboxylic acid (PubChem CID 103261684) has the molecular formula C8H14N4O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxyamino)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxyamino)ethyl]triazole-4-carboxylic acid
PubChem CID103261684
Molecular FormulaC8H14N4O4
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name1-[2-(2-methoxyethoxyamino)ethyl]triazole-4-carboxylic acid
SMILESCOCCONCCn1cc(C(=O)O)nn1
InChIInChI=1S/C8H14N4O4/c1-15-4-5-16-9-2-3-12-6-7(8(13)14)10-11-12/h6,9H,2-5H2,1H3,(H,13,14)
InChIKeyPHSQNLATBHZJLY-UHFFFAOYSA-N
XLogP-0.86
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid
CID 103243863
1-[2-[4-(2-methoxyethoxy)butylamino]ethyl]triazole-4-carboxylic acid
CID 103265893
1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid
CID 103176665
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
1-[2-(propan-2-ylsulfamoylamino)ethyl]triazole-4-carboxylic acid
CID 114806464
1-[2-[2-[2-(dimethylamino)ethoxy]ethylamino]ethyl]triazole-4-carboxylic acid
CID 114128422
methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate
CID 104601014
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
1-[2-(pentan-3-ylamino)ethyl]triazole-4-carboxylic acid
CID 103231103
1-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]triazole-4-carboxylic acid
CID 103246248

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxyamino)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyethoxyamino)ethyl]triazole-4-carboxylic acid (CID 103261684) is 1-[2-(2-methoxyethoxyamino)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyethoxyamino)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyethoxyamino)ethyl]triazole-4-carboxylic acid is COCCONCCn1cc(C(=O)O)nn1.
What is the InChIKey of 1-[2-(2-methoxyethoxyamino)ethyl]triazole-4-carboxylic acid?
The InChIKey is PHSQNLATBHZJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4/c1-15-4-5-16-9-2-3-12-6-7(8(13)14)10-11-12/h6,9H,2-5H2,1H3,(H,13,14).
What are the key properties of 1-[2-(2-methoxyethoxyamino)ethyl]triazole-4-carboxylic acid?
1-[2-(2-methoxyethoxyamino)ethyl]triazole-4-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of -0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxyamino)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 103261684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).