1-(1-methyl-6-oxopyridazine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid

C11H12N4O5 — CID 107433160

IUPAC1-(1-methyl-6-oxopyridazine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESCn1nc(C(=O)N2CC(=O)NCC2C(=O)O)ccc1=O
InChIInChI=1S/C11H12N4O5/c1-14-9(17)3-2-6(13-14)10(18)15-5-8(16)12-4-7(15)11(19)20/h2-3,7H,4-5H2,1H3,(H,12,16)(H,19,20)
InChIKeyJKYJEDDULNLZLJ-UHFFFAOYSA-N
MW280.24 g/mol
LogP-2.19
Rot. Bonds2

About 1-(1-methyl-6-oxopyridazine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid

1-(1-methyl-6-oxopyridazine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107433160) has the molecular formula C11H12N4O5 and a molecular weight of 280.24 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyridazine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107433160
Molecular FormulaC11H12N4O5
Molecular Weight280.24 g/mol
Exact Mass280.08
IUPAC Name1-(1-methyl-6-oxopyridazine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESCn1nc(C(=O)N2CC(=O)NCC2C(=O)O)ccc1=O
InChIInChI=1S/C11H12N4O5/c1-14-9(17)3-2-6(13-14)10(18)15-5-8(16)12-4-7(15)11(19)20/h2-3,7H,4-5H2,1H3,(H,12,16)(H,19,20)
InChIKeyJKYJEDDULNLZLJ-UHFFFAOYSA-N
XLogP-2.19
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 5-2.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyridazine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(1-methyl-6-oxopyridazine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid (CID 107433160) is 1-(1-methyl-6-oxopyridazine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(1-methyl-6-oxopyridazine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid is Cn1nc(C(=O)N2CC(=O)NCC2C(=O)O)ccc1=O.
What is the InChIKey of 1-(1-methyl-6-oxopyridazine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is JKYJEDDULNLZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5/c1-14-9(17)3-2-6(13-14)10(18)15-5-8(16)12-4-7(15)11(19)20/h2-3,7H,4-5H2,1H3,(H,12,16)(H,19,20).
What are the key properties of 1-(1-methyl-6-oxopyridazine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
1-(1-methyl-6-oxopyridazine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 280.24 g/mol, XLogP of -2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopyridazine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107433160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).