3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]oxolane-3-carboxylic acid

C8H10N4O5 — CID 64888311

IUPAC3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1(Nc2n[nH]c(=O)[nH]c2=O)CCOC1
InChIInChI=1S/C8H10N4O5/c13-5-4(11-12-7(16)9-5)10-8(6(14)15)1-2-17-3-8/h1-3H2,(H,10,11)(H,14,15)(H2,9,12,13,16)
InChIKeyIZVGAXJAHUCXPS-UHFFFAOYSA-N
MW242.19 g/mol
LogP-1.89
Rot. Bonds3

About 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]oxolane-3-carboxylic acid

3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]oxolane-3-carboxylic acid (PubChem CID 64888311) has the molecular formula C8H10N4O5 and a molecular weight of 242.19 g/mol. Its IUPAC name is 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]oxolane-3-carboxylic acid
PubChem CID64888311
Molecular FormulaC8H10N4O5
Molecular Weight242.19 g/mol
Exact Mass242.07
IUPAC Name3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1(Nc2n[nH]c(=O)[nH]c2=O)CCOC1
InChIInChI=1S/C8H10N4O5/c13-5-4(11-12-7(16)9-5)10-8(6(14)15)1-2-17-3-8/h1-3H2,(H,10,11)(H,14,15)(H2,9,12,13,16)
InChIKeyIZVGAXJAHUCXPS-UHFFFAOYSA-N
XLogP-1.89
TPSA137.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]oxolane-3-carboxylic acid (CID 64888311) is 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]oxolane-3-carboxylic acid is O=C(O)C1(Nc2n[nH]c(=O)[nH]c2=O)CCOC1.
What is the InChIKey of 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is IZVGAXJAHUCXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O5/c13-5-4(11-12-7(16)9-5)10-8(6(14)15)1-2-17-3-8/h1-3H2,(H,10,11)(H,14,15)(H2,9,12,13,16).
What are the key properties of 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]oxolane-3-carboxylic acid?
3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 242.19 g/mol, XLogP of -1.89, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64888311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).