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

C11H20N4O4 — CID 61418872

IUPAC1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid
SMILESCOCCN(CCOC)CCn1cc(C(=O)O)nn1
InChIInChI=1S/C11H20N4O4/c1-18-7-5-14(6-8-19-2)3-4-15-9-10(11(16)17)12-13-15/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyRQTSVHHHZJVCKT-UHFFFAOYSA-N
MW272.31 g/mol
LogP-0.43
Rot. Bonds10

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

1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid (PubChem CID 61418872) has the molecular formula C11H20N4O4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid
PubChem CID61418872
Molecular FormulaC11H20N4O4
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid
SMILESCOCCN(CCOC)CCn1cc(C(=O)O)nn1
InChIInChI=1S/C11H20N4O4/c1-18-7-5-14(6-8-19-2)3-4-15-9-10(11(16)17)12-13-15/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyRQTSVHHHZJVCKT-UHFFFAOYSA-N
XLogP-0.43
TPSA89.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid
CID 61446251
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-[ethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]triazole-4-carboxylic acid
CID 54948315
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
1-[2-(4-hydroxy-N-methylanilino)ethyl]triazole-4-carboxylic acid
CID 62254735
1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid
CID 43267317
1-[2-[3-hydroxypropyl(propan-2-yl)amino]ethyl]triazole-4-carboxylic acid
CID 54994674

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid (CID 61418872) is 1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid is COCCN(CCOC)CCn1cc(C(=O)O)nn1.
What is the InChIKey of 1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is RQTSVHHHZJVCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4/c1-18-7-5-14(6-8-19-2)3-4-15-9-10(11(16)17)12-13-15/h9H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid?
1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of -0.43, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 61418872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).