ethyl 2-[(1-hydroxy-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)oxy]acetate

C10H11N5O4 — CID 170443279

IUPACethyl 2-[(1-hydroxy-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)oxy]acetate
SMILESCCOC(=O)COc1nc(-c2cncnc2)n(O)n1
InChIInChI=1S/C10H11N5O4/c1-2-18-8(16)5-19-10-13-9(15(17)14-10)7-3-11-6-12-4-7/h3-4,6,17H,2,5H2,1H3
InChIKeyUSZDVUNDMHLEEN-UHFFFAOYSA-N
MW265.23 g/mol
LogP-0.09
Rot. Bonds5

About ethyl 2-[(1-hydroxy-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)oxy]acetate

ethyl 2-[(1-hydroxy-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)oxy]acetate (PubChem CID 170443279) has the molecular formula C10H11N5O4 and a molecular weight of 265.23 g/mol. Its IUPAC name is ethyl 2-[(1-hydroxy-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-hydroxy-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)oxy]acetate
PubChem CID170443279
Molecular FormulaC10H11N5O4
Molecular Weight265.23 g/mol
Exact Mass265.08
IUPAC Nameethyl 2-[(1-hydroxy-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)oxy]acetate
SMILESCCOC(=O)COc1nc(-c2cncnc2)n(O)n1
InChIInChI=1S/C10H11N5O4/c1-2-18-8(16)5-19-10-13-9(15(17)14-10)7-3-11-6-12-4-7/h3-4,6,17H,2,5H2,1H3
InChIKeyUSZDVUNDMHLEEN-UHFFFAOYSA-N
XLogP-0.09
TPSA112.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze ethyl 2-[(1-hydroxy-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)oxy]acetate 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

methyl 2-[[5-(5-fluoro-3-pyridinyl)-1-hydroxy-1,2,4-triazol-3-yl]oxy]acetate
CID 170443379
methyl 2-[[5-(6-chloro-3-pyridinyl)-1-hydroxy-1,2,4-triazol-3-yl]oxy]acetate
CID 170443306
ethyl 2-[[5-(3-chloro-4-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetate
CID 170442342
(2-methoxy-2-oxoethyl) 2-[[5-(5-chloro-2-pyridinyl)-1-hydroxy-1,2,4-triazol-3-yl]oxy]acetate
CID 170443493
methyl 2-[[5-(2,6-difluorophenyl)-1-hydroxy-1,2,4-triazol-3-yl]oxy]acetate
CID 167233702
ethyl 2-[5-(5-chloro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
CID 174197181
methyl 2-[[5-(4-fluoro-2-pyridinyl)-1-hydroxy-1,2,4-triazol-3-yl]oxy]acetate
CID 170443408
2-[(1-hydroxy-5-pyrimidin-2-yl-1,2,4-triazol-3-yl)oxy]acetic acid
CID 170443296
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
2-[[5-(3-fluoro-4-pyridinyl)-1-hydroxy-1,2,4-triazol-3-yl]oxy]acetic acid
CID 170443378
ethyl 2-isoquinolin-6-yloxyacetate
CID 138975938
ethyl 2-[5-(5-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetate
CID 174197848

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-hydroxy-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)oxy]acetate?
The IUPAC name of ethyl 2-[(1-hydroxy-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)oxy]acetate (CID 170443279) is ethyl 2-[(1-hydroxy-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(1-hydroxy-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)oxy]acetate?
The canonical SMILES for ethyl 2-[(1-hydroxy-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)oxy]acetate is CCOC(=O)COc1nc(-c2cncnc2)n(O)n1.
What is the InChIKey of ethyl 2-[(1-hydroxy-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)oxy]acetate?
The InChIKey is USZDVUNDMHLEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4/c1-2-18-8(16)5-19-10-13-9(15(17)14-10)7-3-11-6-12-4-7/h3-4,6,17H,2,5H2,1H3.
What are the key properties of ethyl 2-[(1-hydroxy-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)oxy]acetate?
ethyl 2-[(1-hydroxy-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)oxy]acetate has a molecular weight of 265.23 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-hydroxy-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)oxy]acetate is sourced from PubChem (CID 170443279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).