ethyl 2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]acetate

C10H11N3O3 — CID 18801946

IUPACethyl 2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccco2)n[nH]1
InChIInChI=1S/C10H11N3O3/c1-2-15-9(14)6-8-11-10(13-12-8)7-4-3-5-16-7/h3-5H,2,6H2,1H3,(H,11,12,13)
InChIKeyIWWOVJIXHRVWBM-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.17
Rot. Bonds4

About ethyl 2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]acetate

ethyl 2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]acetate (PubChem CID 18801946) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is ethyl 2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]acetate
PubChem CID18801946
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Nameethyl 2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccco2)n[nH]1
InChIInChI=1S/C10H11N3O3/c1-2-15-9(14)6-8-11-10(13-12-8)7-4-3-5-16-7/h3-5H,2,6H2,1H3,(H,11,12,13)
InChIKeyIWWOVJIXHRVWBM-UHFFFAOYSA-N
XLogP1.17
TPSA81.01 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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole
CID 167964392
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 56827435
5-(chloromethyl)-3-(furan-2-yl)-1H-1,2,4-triazole
CID 79600359
2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide
CID 166403893
ethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 43464958
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methoxyaniline
CID 39734358
2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethanimine
CID 90741695
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-3-methyl-4-nitrobenzamide
CID 56827433
4-acetyl-N-ethyl-N'-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperazine-1-carboximidamide
CID 111546987
4-acetyl-3-ethyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-5-methyl-1H-pyrrole-2-carboxamide
CID 138042586
2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111805537
ethyl 2-[5-amino-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 82068757

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]acetate?
The IUPAC name of ethyl 2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]acetate (CID 18801946) is ethyl 2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]acetate is CCOC(=O)Cc1nc(-c2ccco2)n[nH]1.
What is the InChIKey of ethyl 2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]acetate?
The InChIKey is IWWOVJIXHRVWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-2-15-9(14)6-8-11-10(13-12-8)7-4-3-5-16-7/h3-5H,2,6H2,1H3,(H,11,12,13).
What are the key properties of ethyl 2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]acetate?
ethyl 2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]acetate has a molecular weight of 221.22 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]acetate is sourced from PubChem (CID 18801946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).