1-(2-methoxyethyl)benzotriazole-5-carboxylic acid

C10H11N3O3 — CID 10398583

IUPAC1-(2-methoxyethyl)benzotriazole-5-carboxylic acid
SMILESCOCCn1nnc2cc(C(=O)O)ccc21
InChIInChI=1S/C10H11N3O3/c1-16-5-4-13-9-3-2-7(10(14)15)6-8(9)11-12-13/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyRWCLVDWQBBGEMO-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.78
Rot. Bonds4

About 1-(2-methoxyethyl)benzotriazole-5-carboxylic acid

1-(2-methoxyethyl)benzotriazole-5-carboxylic acid (PubChem CID 10398583) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-(2-methoxyethyl)benzotriazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)benzotriazole-5-carboxylic acid
PubChem CID10398583
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name1-(2-methoxyethyl)benzotriazole-5-carboxylic acid
SMILESCOCCn1nnc2cc(C(=O)O)ccc21
InChIInChI=1S/C10H11N3O3/c1-16-5-4-13-9-3-2-7(10(14)15)6-8(9)11-12-13/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyRWCLVDWQBBGEMO-UHFFFAOYSA-N
XLogP0.78
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)benzotriazole-5-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)benzotriazole-5-carboxylic acid (CID 10398583) is 1-(2-methoxyethyl)benzotriazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)benzotriazole-5-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)benzotriazole-5-carboxylic acid is COCCn1nnc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(2-methoxyethyl)benzotriazole-5-carboxylic acid?
The InChIKey is RWCLVDWQBBGEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-16-5-4-13-9-3-2-7(10(14)15)6-8(9)11-12-13/h2-3,6H,4-5H2,1H3,(H,14,15).
What are the key properties of 1-(2-methoxyethyl)benzotriazole-5-carboxylic acid?
1-(2-methoxyethyl)benzotriazole-5-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)benzotriazole-5-carboxylic acid is sourced from PubChem (CID 10398583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).