ethyl 2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetate

C11H15N3O4 — CID 55008099

IUPACethyl 2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C11H15N3O4/c1-4-18-10(16)7-13(2)11(17)8-5-6-9(15)14(3)12-8/h5-6H,4,7H2,1-3H3
InChIKeyQLMOAMFICQWEPA-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.58
Rot. Bonds4

About ethyl 2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetate

ethyl 2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetate (PubChem CID 55008099) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is ethyl 2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetate
PubChem CID55008099
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Nameethyl 2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C11H15N3O4/c1-4-18-10(16)7-13(2)11(17)8-5-6-9(15)14(3)12-8/h5-6H,4,7H2,1-3H3
InChIKeyQLMOAMFICQWEPA-UHFFFAOYSA-N
XLogP-0.58
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetate (CID 55008099) is ethyl 2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetate is CCOC(=O)CN(C)C(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of ethyl 2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetate?
The InChIKey is QLMOAMFICQWEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-4-18-10(16)7-13(2)11(17)8-5-6-9(15)14(3)12-8/h5-6H,4,7H2,1-3H3.
What are the key properties of ethyl 2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetate?
ethyl 2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetate has a molecular weight of 253.26 g/mol, XLogP of -0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetate is sourced from PubChem (CID 55008099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).