methyl 1-methyl-6-oxopyridazine-3-carboxylate

C7H8N2O3 — CID 59006682

IUPACmethyl 1-methyl-6-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C7H8N2O3/c1-9-6(10)4-3-5(8-9)7(11)12-2/h3-4H,1-2H3
InChIKeyMLOCOCULIFZPTB-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.43
Rot. Bonds1

About methyl 1-methyl-6-oxopyridazine-3-carboxylate

methyl 1-methyl-6-oxopyridazine-3-carboxylate (PubChem CID 59006682) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is methyl 1-methyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-6-oxopyridazine-3-carboxylate
PubChem CID59006682
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Namemethyl 1-methyl-6-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C7H8N2O3/c1-9-6(10)4-3-5(8-9)7(11)12-2/h3-4H,1-2H3
InChIKeyMLOCOCULIFZPTB-UHFFFAOYSA-N
XLogP-0.43
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of methyl 1-methyl-6-oxopyridazine-3-carboxylate (CID 59006682) is methyl 1-methyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for methyl 1-methyl-6-oxopyridazine-3-carboxylate is COC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of methyl 1-methyl-6-oxopyridazine-3-carboxylate?
The InChIKey is MLOCOCULIFZPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-9-6(10)4-3-5(8-9)7(11)12-2/h3-4H,1-2H3.
What are the key properties of methyl 1-methyl-6-oxopyridazine-3-carboxylate?
methyl 1-methyl-6-oxopyridazine-3-carboxylate has a molecular weight of 168.15 g/mol, XLogP of -0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 59006682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).