methyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate

C9H13N3O4 — CID 43407514

IUPACmethyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C9H13N3O4/c1-12(5-8(14)16-2)9(15)6-3-4-7(13)11-10-6/h3-5H2,1-2H3,(H,11,13)
InChIKeyZSXIBODNCZKVRN-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.12
Rot. Bonds3

About methyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate

methyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate (PubChem CID 43407514) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is methyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate
PubChem CID43407514
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Namemethyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C9H13N3O4/c1-12(5-8(14)16-2)9(15)6-3-4-7(13)11-10-6/h3-5H2,1-2H3,(H,11,13)
InChIKeyZSXIBODNCZKVRN-UHFFFAOYSA-N
XLogP-1.12
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate (CID 43407514) is methyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate is COC(=O)CN(C)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of methyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate?
The InChIKey is ZSXIBODNCZKVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-12(5-8(14)16-2)9(15)6-3-4-7(13)11-10-6/h3-5H2,1-2H3,(H,11,13).
What are the key properties of methyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate?
methyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate has a molecular weight of 227.22 g/mol, XLogP of -1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate is sourced from PubChem (CID 43407514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).