4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid

C4H3N3O4 — CID 46782654

IUPAC4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid
SMILESO=C(O)c1[15n][13c](=O)[15nH][13c](=O)[15nH]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)/i3+1,4+1,5+1,6+1,7+1
InChIKeyRYYCJUAHISIHTL-SLOBMOILSA-N
MW162.05 g/mol
LogP-1.84
Rot. Bonds1

About 4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid

4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid (PubChem CID 46782654) has the molecular formula C4H3N3O4 and a molecular weight of 162.05 g/mol. Its IUPAC name is 4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid.

Molecular Properties

Compound Name4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid
PubChem CID46782654
Molecular FormulaC4H3N3O4
Molecular Weight162.05 g/mol
Exact Mass162.01
IUPAC Name4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid
SMILESO=C(O)c1[15n][13c](=O)[15nH][13c](=O)[15nH]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)/i3+1,4+1,5+1,6+1,7+1
InChIKeyRYYCJUAHISIHTL-SLOBMOILSA-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 ≤ 500162.05
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid with MolForge

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Related Compounds

sodium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid
CID 54598356
4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
CID 3748774
4,5-dimethyl-1H-imidazole-2-carboxylic acid
CID 14474276
6-[(Z)-2-hydroxyprop-1-enyl]-1H-1,3,5-triazine-2,4-dione
CID 139176615
5-amino-4-methylsulfanyl-1H-imidazole-2-carboxylic acid
CID 68816994
7H-imidazo[4,5-e]tetrazine-6-carboxylic acid
CID 118429115
6-(2-hydroxyethyl)-1H-1,3,5-triazine-2,4-dione
CID 45092655
6-phenacyl-1H-1,3,5-triazine-2,4-dione
CID 17065353
1H-1,2,4-triazole-3,5-dicarboxylic acid
CID 14948771
3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid
CID 146541131
aminoazanium;4,6-dioxo-1H-1,3,5-triazin-2-olate
CID 132647845
6-amino-1H-1,3,5-triazine-2,4-dione;1,3,5-triazine-2,4,6-triamine
CID 69404310

Frequently Asked Questions

What is the IUPAC name of 4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid?
The IUPAC name of 4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid (CID 46782654) is 4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid.
What is the SMILES notation for 4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid?
The canonical SMILES for 4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid is O=C(O)c1[15n][13c](=O)[15nH][13c](=O)[15nH]1.
What is the InChIKey of 4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid?
The InChIKey is RYYCJUAHISIHTL-SLOBMOILSA-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)/i3+1,4+1,5+1,6+1,7+1.
What are the key properties of 4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid?
4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid has a molecular weight of 162.05 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-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid is sourced from PubChem (CID 46782654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).