5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-3-oxopyridazine-4-carboxylic acid

C12H15N3O5 — CID 175313059

IUPAC5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-3-oxopyridazine-4-carboxylic acid
SMILESCc1cnn(CC(=O)N2CCOCC2)c(=O)c1C(=O)O
InChIInChI=1S/C12H15N3O5/c1-8-6-13-15(11(17)10(8)12(18)19)7-9(16)14-2-4-20-5-3-14/h6H,2-5,7H2,1H3,(H,18,19)
InChIKeyOHZTXJSQOZOQSK-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.89
Rot. Bonds3

About 5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-3-oxopyridazine-4-carboxylic acid

5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-3-oxopyridazine-4-carboxylic acid (PubChem CID 175313059) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-3-oxopyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-3-oxopyridazine-4-carboxylic acid
PubChem CID175313059
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-3-oxopyridazine-4-carboxylic acid
SMILESCc1cnn(CC(=O)N2CCOCC2)c(=O)c1C(=O)O
InChIInChI=1S/C12H15N3O5/c1-8-6-13-15(11(17)10(8)12(18)19)7-9(16)14-2-4-20-5-3-14/h6H,2-5,7H2,1H3,(H,18,19)
InChIKeyOHZTXJSQOZOQSK-UHFFFAOYSA-N
XLogP-0.89
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-3-oxopyridazine-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-3-oxopyridazine-4-carboxylic acid (CID 175313059) is 5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-3-oxopyridazine-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-3-oxopyridazine-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-3-oxopyridazine-4-carboxylic acid is Cc1cnn(CC(=O)N2CCOCC2)c(=O)c1C(=O)O.
What is the InChIKey of 5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-3-oxopyridazine-4-carboxylic acid?
The InChIKey is OHZTXJSQOZOQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-8-6-13-15(11(17)10(8)12(18)19)7-9(16)14-2-4-20-5-3-14/h6H,2-5,7H2,1H3,(H,18,19).
What are the key properties of 5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-3-oxopyridazine-4-carboxylic acid?
5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-3-oxopyridazine-4-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-3-oxopyridazine-4-carboxylic acid is sourced from PubChem (CID 175313059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).