5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid

C10H10N4O4 — CID 107433192

IUPAC5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2ccnnc2)C(C(=O)O)CN1
InChIInChI=1S/C10H10N4O4/c15-8-5-14(7(4-11-8)10(17)18)9(16)6-1-2-12-13-3-6/h1-3,7H,4-5H2,(H,11,15)(H,17,18)
InChIKeyFLRCRDLTFZFYJO-UHFFFAOYSA-N
MW250.21 g/mol
LogP-1.50
Rot. Bonds2

About 5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid

5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid (PubChem CID 107433192) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid
PubChem CID107433192
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2ccnnc2)C(C(=O)O)CN1
InChIInChI=1S/C10H10N4O4/c15-8-5-14(7(4-11-8)10(17)18)9(16)6-1-2-12-13-3-6/h1-3,7H,4-5H2,(H,11,15)(H,17,18)
InChIKeyFLRCRDLTFZFYJO-UHFFFAOYSA-N
XLogP-1.50
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzoyl-5-oxopiperazine-2-carboxylic acid
CID 107432787
1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433430
1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432811
5-oxo-1-(2H-triazole-4-carbonyl)piperazine-2-carboxylic acid
CID 107433380
1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432869
1-(4-bromo-3-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433045
1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432832
1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432929
1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433203
1-(1-methyl-6-oxopyridazine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433160
1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433324
1-(1H-indazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433226

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid?
The IUPAC name of 5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid (CID 107433192) is 5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid?
The canonical SMILES for 5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid is O=C1CN(C(=O)c2ccnnc2)C(C(=O)O)CN1.
What is the InChIKey of 5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid?
The InChIKey is FLRCRDLTFZFYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c15-8-5-14(7(4-11-8)10(17)18)9(16)6-1-2-12-13-3-6/h1-3,7H,4-5H2,(H,11,15)(H,17,18).
What are the key properties of 5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid?
5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid has a molecular weight of 250.21 g/mol, XLogP of -1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 107433192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).