methyl 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylate

C13H12N2O4 — CID 1484995

IUPACmethyl 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(OC)cc2)ccc1=O
InChIInChI=1S/C13H12N2O4/c1-18-10-5-3-9(4-6-10)15-8-7-11(16)12(14-15)13(17)19-2/h3-8H,1-2H3
InChIKeyKGYSJOVSRGPKAD-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.03
Rot. Bonds3

About methyl 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylate

methyl 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylate (PubChem CID 1484995) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is methyl 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylate
PubChem CID1484995
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Namemethyl 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(OC)cc2)ccc1=O
InChIInChI=1S/C13H12N2O4/c1-18-10-5-3-9(4-6-10)15-8-7-11(16)12(14-15)13(17)19-2/h3-8H,1-2H3
InChIKeyKGYSJOVSRGPKAD-UHFFFAOYSA-N
XLogP1.03
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylate?
The IUPAC name of methyl 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylate (CID 1484995) is methyl 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylate?
The canonical SMILES for methyl 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylate is COC(=O)c1nn(-c2ccc(OC)cc2)ccc1=O.
What is the InChIKey of methyl 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylate?
The InChIKey is KGYSJOVSRGPKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-18-10-5-3-9(4-6-10)15-8-7-11(16)12(14-15)13(17)19-2/h3-8H,1-2H3.
What are the key properties of methyl 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylate?
methyl 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylate has a molecular weight of 260.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxylate is sourced from PubChem (CID 1484995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).