ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetate

C9H14N4O4 — CID 62004942

IUPACethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H14N4O4/c1-3-13(5-6(14)17-4-2)7-8(15)10-9(16)12-11-7/h3-5H2,1-2H3,(H2,10,12,15,16)
InChIKeyYQAIBKMHWKDOTD-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.15
Rot. Bonds5

About ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetate

ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetate (PubChem CID 62004942) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetate
PubChem CID62004942
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Nameethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H14N4O4/c1-3-13(5-6(14)17-4-2)7-8(15)10-9(16)12-11-7/h3-5H2,1-2H3,(H2,10,12,15,16)
InChIKeyYQAIBKMHWKDOTD-UHFFFAOYSA-N
XLogP-1.15
TPSA108.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]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

6-[3-aminopropyl(ethyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 60871209
ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate
CID 114051236
ethyl 2-[(5-chloro-2-methoxypyrimidin-4-yl)-ethylamino]acetate
CID 80751895
ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate
CID 105368549
methyl 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-(2-methoxyethyl)amino]propanoate
CID 80703580
ethyl 2-[ethyl-(1-methyl-4-nitropyrazol-3-yl)amino]acetate
CID 103080497
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-prop-2-enylamino]acetic acid
CID 79264605
ethyl 2-(4-amino-N-ethylanilino)acetate
CID 63233621
2-[cyclopropylmethyl-(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid
CID 43656325
ethyl 2-[ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 113446555
ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate
CID 62006262
ethyl 2-(N-ethyl-4-ethylsulfinylanilino)acetate
CID 134176388

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetate?
The IUPAC name of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetate (CID 62004942) is ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetate?
The canonical SMILES for ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetate is CCOC(=O)CN(CC)c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetate?
The InChIKey is YQAIBKMHWKDOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-3-13(5-6(14)17-4-2)7-8(15)10-9(16)12-11-7/h3-5H2,1-2H3,(H2,10,12,15,16).
What are the key properties of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetate?
ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetate has a molecular weight of 242.23 g/mol, XLogP of -1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetate is sourced from PubChem (CID 62004942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).