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

C10H15N3O4 — CID 55003937

IUPACethyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H15N3O4/c1-3-17-9(15)6-13(2)10(16)7-4-5-8(14)12-11-7/h3-6H2,1-2H3,(H,12,14)
InChIKeyUGLNCYKUVBMWAO-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.73
Rot. Bonds4

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

ethyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate (PubChem CID 55003937) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is ethyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate
PubChem CID55003937
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Nameethyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H15N3O4/c1-3-17-9(15)6-13(2)10(16)7-4-5-8(14)12-11-7/h3-6H2,1-2H3,(H,12,14)
InChIKeyUGLNCYKUVBMWAO-UHFFFAOYSA-N
XLogP-0.73
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(3-methyl-6-oxo-5,6-dihydropyridazin-1(4h)-yl)acetate
CID 55264880
2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetic acid
CID 43171173
N-(2-methoxyethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397813
3-(morpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43397844
N,N-bis(2-methoxyethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397884
3-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43403019
methyl 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate
CID 43404738
methyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate
CID 43407514
Methyl (1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carbonyl)glycinate
CID 43409005
Methyl 2-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetate
CID 43409014
methyl 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43409988
methyl 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate
CID 43422641

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate (CID 55003937) is ethyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate is CCOC(=O)CN(C)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of ethyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate?
The InChIKey is UGLNCYKUVBMWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-3-17-9(15)6-13(2)10(16)7-4-5-8(14)12-11-7/h3-6H2,1-2H3,(H,12,14).
What are the key properties of ethyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate?
ethyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate has a molecular weight of 241.25 g/mol, XLogP of -0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate is sourced from PubChem (CID 55003937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).