3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid

C10H8N4O4 — CID 146541131

IUPAC3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid
SMILESO=C(O)c1cccc(Nc2nc(=O)[nH]c(=O)[nH]2)c1
InChIInChI=1S/C10H8N4O4/c15-7(16)5-2-1-3-6(4-5)11-8-12-9(17)14-10(18)13-8/h1-4H,(H,15,16)(H3,11,12,13,14,17,18)
InChIKeyUMJAYCPEGZBXDV-UHFFFAOYSA-N
MW248.20 g/mol
LogP-0.10
Rot. Bonds3

About 3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid

3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid (PubChem CID 146541131) has the molecular formula C10H8N4O4 and a molecular weight of 248.20 g/mol. Its IUPAC name is 3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid
PubChem CID146541131
Molecular FormulaC10H8N4O4
Molecular Weight248.20 g/mol
Exact Mass248.05
IUPAC Name3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid
SMILESO=C(O)c1cccc(Nc2nc(=O)[nH]c(=O)[nH]2)c1
InChIInChI=1S/C10H8N4O4/c15-7(16)5-2-1-3-6(4-5)11-8-12-9(17)14-10(18)13-8/h1-4H,(H,15,16)(H3,11,12,13,14,17,18)
InChIKeyUMJAYCPEGZBXDV-UHFFFAOYSA-N
XLogP-0.10
TPSA127.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid with MolForge

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Related Compounds

3-[[4-(3-carboxyanilino)-6-oxo-1H-1,3,5-triazin-2-yl]amino]benzoic acid
CID 136716664
6-(3-hydroxyanilino)-1H-1,3,5-triazine-2,4-dione
CID 45093594
4-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide
CID 146541140
3-[(6-oxo-1H-pyridazin-3-yl)amino]benzoic acid
CID 71521390
3-[(6-ethoxy-1H-benzimidazol-2-yl)amino]benzoic acid
CID 50878352
3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 175916852
3-(2,6-dichloroanilino)benzoic acid
CID 56930861
2-(3-methylsulfonylanilino)-3H-benzimidazole-5-carboxylic acid
CID 82563075
3-(1H-pyrazol-4-ylamino)benzoic acid
CID 115022807
[4-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid
CID 24833865
3-[(2-oxo-1H-pyrazin-3-yl)amino]benzoic acid
CID 114570420
3-(2,3,4,5,6-pentafluoroanilino)benzoic acid
CID 43238245

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid?
The IUPAC name of 3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid (CID 146541131) is 3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid.
What is the SMILES notation for 3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid?
The canonical SMILES for 3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid is O=C(O)c1cccc(Nc2nc(=O)[nH]c(=O)[nH]2)c1.
What is the InChIKey of 3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid?
The InChIKey is UMJAYCPEGZBXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4/c15-7(16)5-2-1-3-6(4-5)11-8-12-9(17)14-10(18)13-8/h1-4H,(H,15,16)(H3,11,12,13,14,17,18).
What are the key properties of 3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid?
3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid has a molecular weight of 248.20 g/mol, XLogP of -0.10, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid is sourced from PubChem (CID 146541131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).