4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid

C4H3N3O4 — CID 4604

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IUPAC4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid
SMILESO=C(O)c1nc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C4H3N3O4/c8-2(9)1-5-3(10)7-4(11)6-1/h(H,8,9)(H2,5,6,7,10,11)
InChIKeyRYYCJUAHISIHTL-UHFFFAOYSA-N
MW157.09 g/mol
LogP-1.84
Rot. Bonds1

About 4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid

4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid (PubChem CID 4604) has the molecular formula C4H3N3O4 and a molecular weight of 157.09 g/mol. Its IUPAC name is 4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid.

Molecular Properties

Compound Name4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid
PubChem CID4604
Molecular FormulaC4H3N3O4
Molecular Weight157.09 g/mol
Exact Mass157.01
IUPAC Name4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid
SMILESO=C(O)c1nc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C4H3N3O4/c8-2(9)1-5-3(10)7-4(11)6-1/h(H,8,9)(H2,5,6,7,10,11)
InChIKeyRYYCJUAHISIHTL-UHFFFAOYSA-N
XLogP-1.84
TPSA115.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Potassium Oxonate
CID 2723920
4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
CID 3748774
Oxonate
CID 24183644
Oxonic acid potassium salt, 97%
CID 24206406
Monosodium 1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazine-2-carboxylate
CID 23663424
(2E)-2-(carbamoylamino)-2-carbamoyliminoacetic acid
CID 9547891
6-Amino-4-oxo-1,4-dihydro-1,3,5-triazine-2-carboxylic acid
CID 135478884
2,6-Dihydroxytriazinecarboxylate
CID 25201614
Sodium 5-azaorotate
CID 54598356
6-oxo-1H-1,3,5-triazine-2-carboxylic acid
CID 22764789
6-oxo-4-sulfanylidene-1H-1,3,5-triazine-2-carboxylic acid
CID 54415670
5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid
CID 89300388

Frequently Asked Questions

What is the IUPAC name of 4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid?
The IUPAC name of 4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid (CID 4604) is 4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid.
What is the SMILES notation for 4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid?
The canonical SMILES for 4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid is O=C(O)c1nc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid?
The InChIKey is RYYCJUAHISIHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3O4/c8-2(9)1-5-3(10)7-4(11)6-1/h(H,8,9)(H2,5,6,7,10,11).
What are the key properties of 4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid?
4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid has a molecular weight of 157.09 g/mol, XLogP of -1.84, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid is sourced from PubChem (CID 4604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).