1-[2-[3-(methoxymethyl)phenoxy]ethyl]triazole-4-carboxylic acid

C13H15N3O4 — CID 63984553

IUPAC1-[2-[3-(methoxymethyl)phenoxy]ethyl]triazole-4-carboxylic acid
SMILESCOCc1cccc(OCCn2cc(C(=O)O)nn2)c1
InChIInChI=1S/C13H15N3O4/c1-19-9-10-3-2-4-11(7-10)20-6-5-16-8-12(13(17)18)14-15-16/h2-4,7-8H,5-6,9H2,1H3,(H,17,18)
InChIKeyYJWFLGOABKFBKB-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.20
Rot. Bonds7

About 1-[2-[3-(methoxymethyl)phenoxy]ethyl]triazole-4-carboxylic acid

1-[2-[3-(methoxymethyl)phenoxy]ethyl]triazole-4-carboxylic acid (PubChem CID 63984553) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-[2-[3-(methoxymethyl)phenoxy]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[3-(methoxymethyl)phenoxy]ethyl]triazole-4-carboxylic acid
PubChem CID63984553
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name1-[2-[3-(methoxymethyl)phenoxy]ethyl]triazole-4-carboxylic acid
SMILESCOCc1cccc(OCCn2cc(C(=O)O)nn2)c1
InChIInChI=1S/C13H15N3O4/c1-19-9-10-3-2-4-11(7-10)20-6-5-16-8-12(13(17)18)14-15-16/h2-4,7-8H,5-6,9H2,1H3,(H,17,18)
InChIKeyYJWFLGOABKFBKB-UHFFFAOYSA-N
XLogP1.20
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[3-(methoxymethyl)phenoxy]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-bromophenoxy)ethyl]triazole-4-carboxylic acid
CID 43151006
1-[2-(3-carbamoylphenoxy)ethyl]triazole-4-carboxylic acid
CID 29082468
1-[2-(1-methylpyrazol-4-yl)oxyethyl]triazole-4-carboxylic acid
CID 116792178
1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carboxylic acid
CID 43151029
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]triazole-4-carboxylic acid
CID 43369912
1-[2-(3-methyl-4-nitrophenoxy)ethyl]triazole-4-carboxylic acid
CID 29082394
1-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]triazole-4-carboxylic acid
CID 103258044
1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 118646632
1-[1-[2-(3-bromophenoxy)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone
CID 62579974
1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid
CID 103176665
1-[2-(4-chloro-2-methylphenoxy)ethyl]triazole-4-carboxylic acid
CID 29082352
2-[4-[[3-(methoxymethyl)phenyl]carbamoyl]triazol-1-yl]acetic acid
CID 66290006

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(methoxymethyl)phenoxy]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[3-(methoxymethyl)phenoxy]ethyl]triazole-4-carboxylic acid (CID 63984553) is 1-[2-[3-(methoxymethyl)phenoxy]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[3-(methoxymethyl)phenoxy]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[3-(methoxymethyl)phenoxy]ethyl]triazole-4-carboxylic acid is COCc1cccc(OCCn2cc(C(=O)O)nn2)c1.
What is the InChIKey of 1-[2-[3-(methoxymethyl)phenoxy]ethyl]triazole-4-carboxylic acid?
The InChIKey is YJWFLGOABKFBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-19-9-10-3-2-4-11(7-10)20-6-5-16-8-12(13(17)18)14-15-16/h2-4,7-8H,5-6,9H2,1H3,(H,17,18).
What are the key properties of 1-[2-[3-(methoxymethyl)phenoxy]ethyl]triazole-4-carboxylic acid?
1-[2-[3-(methoxymethyl)phenoxy]ethyl]triazole-4-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(methoxymethyl)phenoxy]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 63984553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).