2,4,6-trioxo-1,5-dihydropteridine-7-carboxylic acid

C7H4N4O5 — CID 23422188

IUPAC2,4,6-trioxo-1,5-dihydropteridine-7-carboxylic acid
SMILESO=C(O)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]c1=O
InChIInChI=1S/C7H4N4O5/c12-4-1-3(10-7(16)11-4)8-2(6(14)15)5(13)9-1/h(H,9,13)(H,14,15)(H2,8,10,11,12,16)
InChIKeyRFFQNMONOYKTEM-UHFFFAOYSA-N
MW224.13 g/mol
LogP-2.00
Rot. Bonds1

About 2,4,6-trioxo-1,5-dihydropteridine-7-carboxylic acid

2,4,6-trioxo-1,5-dihydropteridine-7-carboxylic acid (PubChem CID 23422188) has the molecular formula C7H4N4O5 and a molecular weight of 224.13 g/mol. Its IUPAC name is 2,4,6-trioxo-1,5-dihydropteridine-7-carboxylic acid.

Molecular Properties

Compound Name2,4,6-trioxo-1,5-dihydropteridine-7-carboxylic acid
PubChem CID23422188
Molecular FormulaC7H4N4O5
Molecular Weight224.13 g/mol
Exact Mass224.02
IUPAC Name2,4,6-trioxo-1,5-dihydropteridine-7-carboxylic acid
SMILESO=C(O)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]c1=O
InChIInChI=1S/C7H4N4O5/c12-4-1-3(10-7(16)11-4)8-2(6(14)15)5(13)9-1/h(H,9,13)(H,14,15)(H2,8,10,11,12,16)
InChIKeyRFFQNMONOYKTEM-UHFFFAOYSA-N
XLogP-2.00
TPSA148.77 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trioxo-1,5-dihydropteridine-7-carboxylic acid?
The IUPAC name of 2,4,6-trioxo-1,5-dihydropteridine-7-carboxylic acid (CID 23422188) is 2,4,6-trioxo-1,5-dihydropteridine-7-carboxylic acid.
What is the SMILES notation for 2,4,6-trioxo-1,5-dihydropteridine-7-carboxylic acid?
The canonical SMILES for 2,4,6-trioxo-1,5-dihydropteridine-7-carboxylic acid is O=C(O)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]c1=O.
What is the InChIKey of 2,4,6-trioxo-1,5-dihydropteridine-7-carboxylic acid?
The InChIKey is RFFQNMONOYKTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4O5/c12-4-1-3(10-7(16)11-4)8-2(6(14)15)5(13)9-1/h(H,9,13)(H,14,15)(H2,8,10,11,12,16).
What are the key properties of 2,4,6-trioxo-1,5-dihydropteridine-7-carboxylic acid?
2,4,6-trioxo-1,5-dihydropteridine-7-carboxylic acid has a molecular weight of 224.13 g/mol, XLogP of -2.00, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trioxo-1,5-dihydropteridine-7-carboxylic acid is sourced from PubChem (CID 23422188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).