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

C10H18N4O3 — CID 61446251

IUPAC1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid
SMILESCCN(CCOC)CCn1cc(C(=O)O)nn1
InChIInChI=1S/C10H18N4O3/c1-3-13(6-7-17-2)4-5-14-8-9(10(15)16)11-12-14/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyXHMCYOWUMSWLAT-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.06
Rot. Bonds8

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

1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid (PubChem CID 61446251) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid
PubChem CID61446251
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid
SMILESCCN(CCOC)CCn1cc(C(=O)O)nn1
InChIInChI=1S/C10H18N4O3/c1-3-13(6-7-17-2)4-5-14-8-9(10(15)16)11-12-14/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyXHMCYOWUMSWLAT-UHFFFAOYSA-N
XLogP-0.06
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid
CID 61418872
1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]triazole-4-carboxylic acid
CID 54948315
1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carboxylic acid
CID 43445808
1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid
CID 103176665
1-[2-(2-methoxyethoxyamino)ethyl]triazole-4-carboxylic acid
CID 103261684
1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid
CID 103243863
1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide
CID 63573811
N-[[1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62435948
1-[2-[2-[ethyl(methyl)amino]ethylamino]ethyl]triazole-4-carboxylic acid
CID 103249170
1-[2-[4-(2-methoxyethoxy)butylamino]ethyl]triazole-4-carboxylic acid
CID 103265893
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
1-(2-fluoroethyl)triazole-4-carboxylic acid
CID 79006648

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid (CID 61446251) is 1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid is CCN(CCOC)CCn1cc(C(=O)O)nn1.
What is the InChIKey of 1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is XHMCYOWUMSWLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-3-13(6-7-17-2)4-5-14-8-9(10(15)16)11-12-14/h8H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid?
1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of -0.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 61446251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).