3-methoxy-6-morpholin-4-ylpyridazine-4-carboxylic acid

C10H13N3O4 — CID 117102938

IUPAC3-methoxy-6-morpholin-4-ylpyridazine-4-carboxylic acid
SMILESCOc1nnc(N2CCOCC2)cc1C(=O)O
InChIInChI=1S/C10H13N3O4/c1-16-9-7(10(14)15)6-8(11-12-9)13-2-4-17-5-3-13/h6H,2-5H2,1H3,(H,14,15)
InChIKeyYVOAOXVFUUXVPI-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.02
Rot. Bonds3

About 3-methoxy-6-morpholin-4-ylpyridazine-4-carboxylic acid

3-methoxy-6-morpholin-4-ylpyridazine-4-carboxylic acid (PubChem CID 117102938) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-methoxy-6-morpholin-4-ylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-6-morpholin-4-ylpyridazine-4-carboxylic acid
PubChem CID117102938
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-methoxy-6-morpholin-4-ylpyridazine-4-carboxylic acid
SMILESCOc1nnc(N2CCOCC2)cc1C(=O)O
InChIInChI=1S/C10H13N3O4/c1-16-9-7(10(14)15)6-8(11-12-9)13-2-4-17-5-3-13/h6H,2-5H2,1H3,(H,14,15)
InChIKeyYVOAOXVFUUXVPI-UHFFFAOYSA-N
XLogP0.02
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-morpholin-4-ylpyridazine-4-carboxylic acid?
The IUPAC name of 3-methoxy-6-morpholin-4-ylpyridazine-4-carboxylic acid (CID 117102938) is 3-methoxy-6-morpholin-4-ylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-methoxy-6-morpholin-4-ylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-methoxy-6-morpholin-4-ylpyridazine-4-carboxylic acid is COc1nnc(N2CCOCC2)cc1C(=O)O.
What is the InChIKey of 3-methoxy-6-morpholin-4-ylpyridazine-4-carboxylic acid?
The InChIKey is YVOAOXVFUUXVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-16-9-7(10(14)15)6-8(11-12-9)13-2-4-17-5-3-13/h6H,2-5H2,1H3,(H,14,15).
What are the key properties of 3-methoxy-6-morpholin-4-ylpyridazine-4-carboxylic acid?
3-methoxy-6-morpholin-4-ylpyridazine-4-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-morpholin-4-ylpyridazine-4-carboxylic acid is sourced from PubChem (CID 117102938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).