methyl 5-methoxy-4-oxo-6-pyridin-4-yl-1H-pyridazine-3-carboxylate

C12H11N3O4 — CID 91016540

IUPACmethyl 5-methoxy-4-oxo-6-pyridin-4-yl-1H-pyridazine-3-carboxylate
SMILESCOC(=O)c1n[nH]c(-c2ccncc2)c(OC)c1=O
InChIInChI=1S/C12H11N3O4/c1-18-11-8(7-3-5-13-6-4-7)14-15-9(10(11)16)12(17)19-2/h3-6H,1-2H3,(H,14,16)
InChIKeyGRMARVAMNJCEBM-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.63
Rot. Bonds3

About methyl 5-methoxy-4-oxo-6-pyridin-4-yl-1H-pyridazine-3-carboxylate

methyl 5-methoxy-4-oxo-6-pyridin-4-yl-1H-pyridazine-3-carboxylate (PubChem CID 91016540) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is methyl 5-methoxy-4-oxo-6-pyridin-4-yl-1H-pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-4-oxo-6-pyridin-4-yl-1H-pyridazine-3-carboxylate
PubChem CID91016540
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Namemethyl 5-methoxy-4-oxo-6-pyridin-4-yl-1H-pyridazine-3-carboxylate
SMILESCOC(=O)c1n[nH]c(-c2ccncc2)c(OC)c1=O
InChIInChI=1S/C12H11N3O4/c1-18-11-8(7-3-5-13-6-4-7)14-15-9(10(11)16)12(17)19-2/h3-6H,1-2H3,(H,14,16)
InChIKeyGRMARVAMNJCEBM-UHFFFAOYSA-N
XLogP0.63
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-4-oxo-6-pyridin-4-yl-1H-pyridazine-3-carboxylate?
The IUPAC name of methyl 5-methoxy-4-oxo-6-pyridin-4-yl-1H-pyridazine-3-carboxylate (CID 91016540) is methyl 5-methoxy-4-oxo-6-pyridin-4-yl-1H-pyridazine-3-carboxylate.
What is the SMILES notation for methyl 5-methoxy-4-oxo-6-pyridin-4-yl-1H-pyridazine-3-carboxylate?
The canonical SMILES for methyl 5-methoxy-4-oxo-6-pyridin-4-yl-1H-pyridazine-3-carboxylate is COC(=O)c1n[nH]c(-c2ccncc2)c(OC)c1=O.
What is the InChIKey of methyl 5-methoxy-4-oxo-6-pyridin-4-yl-1H-pyridazine-3-carboxylate?
The InChIKey is GRMARVAMNJCEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-18-11-8(7-3-5-13-6-4-7)14-15-9(10(11)16)12(17)19-2/h3-6H,1-2H3,(H,14,16).
What are the key properties of methyl 5-methoxy-4-oxo-6-pyridin-4-yl-1H-pyridazine-3-carboxylate?
methyl 5-methoxy-4-oxo-6-pyridin-4-yl-1H-pyridazine-3-carboxylate has a molecular weight of 261.24 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-4-oxo-6-pyridin-4-yl-1H-pyridazine-3-carboxylate is sourced from PubChem (CID 91016540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).