4-hydroxy-1-(3-methoxyphenyl)-6-oxopyridazine-3-carboxamide

C12H11N3O4 — CID 54696636

IUPAC4-hydroxy-1-(3-methoxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1cccc(-n2nc(C(N)=O)c(O)cc2=O)c1
InChIInChI=1S/C12H11N3O4/c1-19-8-4-2-3-7(5-8)15-10(17)6-9(16)11(14-15)12(13)18/h2-6,16H,1H3,(H2,13,18)
InChIKeyYLJJNYJSVGZYNL-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.05
Rot. Bonds3

About 4-hydroxy-1-(3-methoxyphenyl)-6-oxopyridazine-3-carboxamide

4-hydroxy-1-(3-methoxyphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 54696636) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 4-hydroxy-1-(3-methoxyphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(3-methoxyphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID54696636
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name4-hydroxy-1-(3-methoxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1cccc(-n2nc(C(N)=O)c(O)cc2=O)c1
InChIInChI=1S/C12H11N3O4/c1-19-8-4-2-3-7(5-8)15-10(17)6-9(16)11(14-15)12(13)18/h2-6,16H,1H3,(H2,13,18)
InChIKeyYLJJNYJSVGZYNL-UHFFFAOYSA-N
XLogP0.05
TPSA107.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 4-hydroxy-1-(3-methoxyphenyl)-6-oxopyridazine-3-carboxamide (CID 54696636) is 4-hydroxy-1-(3-methoxyphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(3-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-(3-methoxyphenyl)-6-oxopyridazine-3-carboxamide is COc1cccc(-n2nc(C(N)=O)c(O)cc2=O)c1.
What is the InChIKey of 4-hydroxy-1-(3-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is YLJJNYJSVGZYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-19-8-4-2-3-7(5-8)15-10(17)6-9(16)11(14-15)12(13)18/h2-6,16H,1H3,(H2,13,18).
What are the key properties of 4-hydroxy-1-(3-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
4-hydroxy-1-(3-methoxyphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 261.24 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-methoxyphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 54696636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).