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

C7H10N4O4 — CID 1241433

IUPACethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate
SMILESCCOC(=O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O4/c1-2-15-4(12)3-8-5-6(13)9-7(14)11-10-5/h2-3H2,1H3,(H,8,10)(H2,9,11,13,14)
InChIKeyYMIOAQJXYDVOQF-UHFFFAOYSA-N
MW214.18 g/mol
LogP-1.57
Rot. Bonds4

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

ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate (PubChem CID 1241433) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate
PubChem CID1241433
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Nameethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate
SMILESCCOC(=O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O4/c1-2-15-4(12)3-8-5-6(13)9-7(14)11-10-5/h2-3H2,1H3,(H,8,10)(H2,9,11,13,14)
InChIKeyYMIOAQJXYDVOQF-UHFFFAOYSA-N
XLogP-1.57
TPSA116.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate?
The IUPAC name of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate (CID 1241433) is ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate is CCOC(=O)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate?
The InChIKey is YMIOAQJXYDVOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c1-2-15-4(12)3-8-5-6(13)9-7(14)11-10-5/h2-3H2,1H3,(H,8,10)(H2,9,11,13,14).
What are the key properties of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate?
ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate has a molecular weight of 214.18 g/mol, XLogP of -1.57, 4 rotatable bonds, 3 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)amino]acetate is sourced from PubChem (CID 1241433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).