4-[4-(2-aminoethoxy)-3-methoxyphenyl]-1,2,4-triazolidine-3,5-dione

C11H14N4O4 — CID 137334067

IUPAC4-[4-(2-aminoethoxy)-3-methoxyphenyl]-1,2,4-triazolidine-3,5-dione
SMILESCOc1cc(-n2c(=O)[nH][nH]c2=O)ccc1OCCN
InChIInChI=1S/C11H14N4O4/c1-18-9-6-7(2-3-8(9)19-5-4-12)15-10(16)13-14-11(15)17/h2-3,6H,4-5,12H2,1H3,(H,13,16)(H,14,17)
InChIKeyKDARNQJCXHBXSI-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.80
Rot. Bonds5

About 4-[4-(2-aminoethoxy)-3-methoxyphenyl]-1,2,4-triazolidine-3,5-dione

4-[4-(2-aminoethoxy)-3-methoxyphenyl]-1,2,4-triazolidine-3,5-dione (PubChem CID 137334067) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-[4-(2-aminoethoxy)-3-methoxyphenyl]-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-[4-(2-aminoethoxy)-3-methoxyphenyl]-1,2,4-triazolidine-3,5-dione
PubChem CID137334067
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name4-[4-(2-aminoethoxy)-3-methoxyphenyl]-1,2,4-triazolidine-3,5-dione
SMILESCOc1cc(-n2c(=O)[nH][nH]c2=O)ccc1OCCN
InChIInChI=1S/C11H14N4O4/c1-18-9-6-7(2-3-8(9)19-5-4-12)15-10(16)13-14-11(15)17/h2-3,6H,4-5,12H2,1H3,(H,13,16)(H,14,17)
InChIKeyKDARNQJCXHBXSI-UHFFFAOYSA-N
XLogP-0.80
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-dimethoxyphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 25196615
N-[2-[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)-2-methoxyphenoxy]ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide
CID 146026223
2-(2-methoxy-4,5-dimethylphenoxy)ethanamine
CID 82491313
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
2-(5-tert-butyl-2-methoxyphenoxy)ethanamine
CID 96672636
1-[2-[2-methoxy-4-(oxidoamino)phenoxy]ethyl]imidazolidin-2-one
CID 146830978
4-(4-amino-3-fluorophenyl)-1,2,4-triazolidine-3,5-dione
CID 107409343
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 115946769
1-[3-(2-methoxyethoxy)-4-phenoxyphenyl]-3-(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione
CID 139434092
4-(2-aminoethoxy)-N-[(2-aminopyrimidin-5-yl)methyl]-3-methoxy-N-methylbenzamide
CID 118787414
2-(4-chlorophenyl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,4-d]triazol-4-one
CID 91511331

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethoxy)-3-methoxyphenyl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-[4-(2-aminoethoxy)-3-methoxyphenyl]-1,2,4-triazolidine-3,5-dione (CID 137334067) is 4-[4-(2-aminoethoxy)-3-methoxyphenyl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-[4-(2-aminoethoxy)-3-methoxyphenyl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-[4-(2-aminoethoxy)-3-methoxyphenyl]-1,2,4-triazolidine-3,5-dione is COc1cc(-n2c(=O)[nH][nH]c2=O)ccc1OCCN.
What is the InChIKey of 4-[4-(2-aminoethoxy)-3-methoxyphenyl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is KDARNQJCXHBXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-18-9-6-7(2-3-8(9)19-5-4-12)15-10(16)13-14-11(15)17/h2-3,6H,4-5,12H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 4-[4-(2-aminoethoxy)-3-methoxyphenyl]-1,2,4-triazolidine-3,5-dione?
4-[4-(2-aminoethoxy)-3-methoxyphenyl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 266.26 g/mol, XLogP of -0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethoxy)-3-methoxyphenyl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 137334067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).