4-oxido-6-oxo-1H-1,3,5-triazine-2-carboxylate

C4HN3O4-2 — CID 25201614

IUPAC4-oxido-6-oxo-1H-1,3,5-triazine-2-carboxylate
SMILESO=C([O-])c1nc([O-])nc(=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)/p-2
InChIKeyRYYCJUAHISIHTL-UHFFFAOYSA-L
MW155.07 g/mol
LogP-3.40
Rot. Bonds1

About 4-oxido-6-oxo-1H-1,3,5-triazine-2-carboxylate

4-oxido-6-oxo-1H-1,3,5-triazine-2-carboxylate (PubChem CID 25201614) has the molecular formula C4HN3O4-2 and a molecular weight of 155.07 g/mol. Its IUPAC name is 4-oxido-6-oxo-1H-1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Name4-oxido-6-oxo-1H-1,3,5-triazine-2-carboxylate
PubChem CID25201614
Molecular FormulaC4HN3O4-2
Molecular Weight155.07 g/mol
Exact Mass155.00
IUPAC Name4-oxido-6-oxo-1H-1,3,5-triazine-2-carboxylate
SMILESO=C([O-])c1nc([O-])nc(=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)/p-2
InChIKeyRYYCJUAHISIHTL-UHFFFAOYSA-L
XLogP-3.40
TPSA121.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.07
LogP ≤ 5-3.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Oteracil
CID 4604
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
Sodium 5-azaorotate
CID 54598356
6-oxo-1H-1,3,5-triazine-2-carboxylic acid
CID 22764789
4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid;hydrate
CID 141327896
CID 24187963
CID 24187963

Frequently Asked Questions

What is the IUPAC name of 4-oxido-6-oxo-1H-1,3,5-triazine-2-carboxylate?
The IUPAC name of 4-oxido-6-oxo-1H-1,3,5-triazine-2-carboxylate (CID 25201614) is 4-oxido-6-oxo-1H-1,3,5-triazine-2-carboxylate.
What is the SMILES notation for 4-oxido-6-oxo-1H-1,3,5-triazine-2-carboxylate?
The canonical SMILES for 4-oxido-6-oxo-1H-1,3,5-triazine-2-carboxylate is O=C([O-])c1nc([O-])nc(=O)[nH]1.
What is the InChIKey of 4-oxido-6-oxo-1H-1,3,5-triazine-2-carboxylate?
The InChIKey is RYYCJUAHISIHTL-UHFFFAOYSA-L. 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)/p-2.
What are the key properties of 4-oxido-6-oxo-1H-1,3,5-triazine-2-carboxylate?
4-oxido-6-oxo-1H-1,3,5-triazine-2-carboxylate has a molecular weight of 155.07 g/mol, XLogP of -3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxido-6-oxo-1H-1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 25201614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).