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

C8H10N2O3 — CID 112723395

IUPACethyl 1-methyl-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C8H10N2O3/c1-3-13-8(12)6-4-5-7(11)10(2)9-6/h4-5H,3H2,1-2H3
InChIKeyMPCNVBHOFSJQLE-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.04
Rot. Bonds2

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

ethyl 1-methyl-6-oxopyridazine-3-carboxylate (PubChem CID 112723395) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is ethyl 1-methyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-6-oxopyridazine-3-carboxylate
PubChem CID112723395
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Nameethyl 1-methyl-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C8H10N2O3/c1-3-13-8(12)6-4-5-7(11)10(2)9-6/h4-5H,3H2,1-2H3
InChIKeyMPCNVBHOFSJQLE-UHFFFAOYSA-N
XLogP-0.04
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of ethyl 1-methyl-6-oxopyridazine-3-carboxylate (CID 112723395) is ethyl 1-methyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-6-oxopyridazine-3-carboxylate is CCOC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of ethyl 1-methyl-6-oxopyridazine-3-carboxylate?
The InChIKey is MPCNVBHOFSJQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-3-13-8(12)6-4-5-7(11)10(2)9-6/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 1-methyl-6-oxopyridazine-3-carboxylate?
ethyl 1-methyl-6-oxopyridazine-3-carboxylate has a molecular weight of 182.18 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 112723395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).