1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid

C10H8Cl2N4O4 — CID 107433030

IUPAC1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2cc(Cl)nnc2Cl)C(C(=O)O)CN1
InChIInChI=1S/C10H8Cl2N4O4/c11-6-1-4(8(12)15-14-6)9(18)16-3-7(17)13-2-5(16)10(19)20/h1,5H,2-3H2,(H,13,17)(H,19,20)
InChIKeyZNSSENXHRFVRIM-UHFFFAOYSA-N
MW319.10 g/mol
LogP-0.19
Rot. Bonds2

About 1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid

1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107433030) has the molecular formula C10H8Cl2N4O4 and a molecular weight of 319.10 g/mol. Its IUPAC name is 1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107433030
Molecular FormulaC10H8Cl2N4O4
Molecular Weight319.10 g/mol
Exact Mass317.99
IUPAC Name1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2cc(Cl)nnc2Cl)C(C(=O)O)CN1
InChIInChI=1S/C10H8Cl2N4O4/c11-6-1-4(8(12)15-14-6)9(18)16-3-7(17)13-2-5(16)10(19)20/h1,5H,2-3H2,(H,13,17)(H,19,20)
InChIKeyZNSSENXHRFVRIM-UHFFFAOYSA-N
XLogP-0.19
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.10
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid (CID 107433030) is 1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid is O=C1CN(C(=O)c2cc(Cl)nnc2Cl)C(C(=O)O)CN1.
What is the InChIKey of 1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is ZNSSENXHRFVRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O4/c11-6-1-4(8(12)15-14-6)9(18)16-3-7(17)13-2-5(16)10(19)20/h1,5H,2-3H2,(H,13,17)(H,19,20).
What are the key properties of 1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid?
1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 319.10 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107433030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).