5-diazo-2,6-dioxopyrimidine-4-carboxylic acid

C5H2N4O4 — CID 137274246

IUPAC5-diazo-2,6-dioxopyrimidine-4-carboxylic acid
SMILES[N-]=[N+]=C1C(=O)NC(=O)N=C1C(=O)O
InChIInChI=1S/C5H2N4O4/c6-9-1-2(4(11)12)7-5(13)8-3(1)10/h(H,11,12)(H,8,10,13)
InChIKeyNPSNBDHMMLFJNG-UHFFFAOYSA-N
MW182.09 g/mol
LogP-1.57
Rot. Bonds1

About 5-diazo-2,6-dioxopyrimidine-4-carboxylic acid

5-diazo-2,6-dioxopyrimidine-4-carboxylic acid (PubChem CID 137274246) has the molecular formula C5H2N4O4 and a molecular weight of 182.09 g/mol. Its IUPAC name is 5-diazo-2,6-dioxopyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-diazo-2,6-dioxopyrimidine-4-carboxylic acid
PubChem CID137274246
Molecular FormulaC5H2N4O4
Molecular Weight182.09 g/mol
Exact Mass182.01
IUPAC Name5-diazo-2,6-dioxopyrimidine-4-carboxylic acid
SMILES[N-]=[N+]=C1C(=O)NC(=O)N=C1C(=O)O
InChIInChI=1S/C5H2N4O4/c6-9-1-2(4(11)12)7-5(13)8-3(1)10/h(H,11,12)(H,8,10,13)
InChIKeyNPSNBDHMMLFJNG-UHFFFAOYSA-N
XLogP-1.57
TPSA132.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.09
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 5-diazo-2,6-dioxopyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-diazo-2,6-dioxopyrimidine-4-carboxylic acid?
The IUPAC name of 5-diazo-2,6-dioxopyrimidine-4-carboxylic acid (CID 137274246) is 5-diazo-2,6-dioxopyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-diazo-2,6-dioxopyrimidine-4-carboxylic acid?
The canonical SMILES for 5-diazo-2,6-dioxopyrimidine-4-carboxylic acid is [N-]=[N+]=C1C(=O)NC(=O)N=C1C(=O)O.
What is the InChIKey of 5-diazo-2,6-dioxopyrimidine-4-carboxylic acid?
The InChIKey is NPSNBDHMMLFJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2N4O4/c6-9-1-2(4(11)12)7-5(13)8-3(1)10/h(H,11,12)(H,8,10,13).
What are the key properties of 5-diazo-2,6-dioxopyrimidine-4-carboxylic acid?
5-diazo-2,6-dioxopyrimidine-4-carboxylic acid has a molecular weight of 182.09 g/mol, XLogP of -1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diazo-2,6-dioxopyrimidine-4-carboxylic acid is sourced from PubChem (CID 137274246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).