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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid
CID 63608693
N-[[1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62433705
1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]triazole-4-carboxylic acid
CID 54980486
5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397972
1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 29082618
1-[2-oxo-2-(3,4,5-trimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid
CID 114539319
1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide
CID 63583913
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
CID 43592179
1-(2-fluoroethyl)triazole-4-carboxylic acid
CID 79006648
1-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]triazole-4-carboxylic acid
CID 64836407
1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]triazole-4-carboxylic acid
CID 63541545
1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carboxylic acid
CID 114777344

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).