6-oxo-1H-1,3,5-triazine-2-carboxylic acid

C4H3N3O3 — CID 22764789

IUPAC6-oxo-1H-1,3,5-triazine-2-carboxylic acid
SMILESO=C(O)c1ncnc(=O)[nH]1
InChIInChI=1S/C4H3N3O3/c8-3(9)2-5-1-6-4(10)7-2/h1H,(H,8,9)(H,5,6,7,10)
InChIKeyZRVJTKPHNFTAAP-UHFFFAOYSA-N
MW141.09 g/mol
LogP-1.14
Rot. Bonds1

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

6-oxo-1H-1,3,5-triazine-2-carboxylic acid (PubChem CID 22764789) has the molecular formula C4H3N3O3 and a molecular weight of 141.09 g/mol. Its IUPAC name is 6-oxo-1H-1,3,5-triazine-2-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1H-1,3,5-triazine-2-carboxylic acid
PubChem CID22764789
Molecular FormulaC4H3N3O3
Molecular Weight141.09 g/mol
Exact Mass141.02
IUPAC Name6-oxo-1H-1,3,5-triazine-2-carboxylic acid
SMILESO=C(O)c1ncnc(=O)[nH]1
InChIInChI=1S/C4H3N3O3/c8-3(9)2-5-1-6-4(10)7-2/h1H,(H,8,9)(H,5,6,7,10)
InChIKeyZRVJTKPHNFTAAP-UHFFFAOYSA-N
XLogP-1.14
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.09
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1H-1,3,5-triazine-2-carboxylic acid?
The IUPAC name of 6-oxo-1H-1,3,5-triazine-2-carboxylic acid (CID 22764789) is 6-oxo-1H-1,3,5-triazine-2-carboxylic acid.
What is the SMILES notation for 6-oxo-1H-1,3,5-triazine-2-carboxylic acid?
The canonical SMILES for 6-oxo-1H-1,3,5-triazine-2-carboxylic acid is O=C(O)c1ncnc(=O)[nH]1.
What is the InChIKey of 6-oxo-1H-1,3,5-triazine-2-carboxylic acid?
The InChIKey is ZRVJTKPHNFTAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3O3/c8-3(9)2-5-1-6-4(10)7-2/h1H,(H,8,9)(H,5,6,7,10).
What are the key properties of 6-oxo-1H-1,3,5-triazine-2-carboxylic acid?
6-oxo-1H-1,3,5-triazine-2-carboxylic acid has a molecular weight of 141.09 g/mol, XLogP of -1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1H-1,3,5-triazine-2-carboxylic acid is sourced from PubChem (CID 22764789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).