1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid

C11H18N4O3 — CID 43544795

IUPAC1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid
SMILESCC1CN(CCn2cc(C(=O)O)nn2)C(C)CO1
InChIInChI=1S/C11H18N4O3/c1-8-7-18-9(2)5-14(8)3-4-15-6-10(11(16)17)12-13-15/h6,8-9H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyVFJZMAKNKKXXFE-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.09
Rot. Bonds4

About 1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid

1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid (PubChem CID 43544795) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid
PubChem CID43544795
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid
SMILESCC1CN(CCn2cc(C(=O)O)nn2)C(C)CO1
InChIInChI=1S/C11H18N4O3/c1-8-7-18-9(2)5-14(8)3-4-15-6-10(11(16)17)12-13-15/h6,8-9H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyVFJZMAKNKKXXFE-UHFFFAOYSA-N
XLogP0.09
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid (CID 43544795) is 1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid is CC1CN(CCn2cc(C(=O)O)nn2)C(C)CO1.
What is the InChIKey of 1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid?
The InChIKey is VFJZMAKNKKXXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8-7-18-9(2)5-14(8)3-4-15-6-10(11(16)17)12-13-15/h6,8-9H,3-5,7H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid?
1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 43544795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).