ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-prop-2-enylamino]acetate

C12H15N3O4 — CID 113331322

IUPACethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H15N3O4/c1-3-7-15(8-11(17)19-4-2)12(18)9-5-6-10(16)14-13-9/h3,5-6H,1,4,7-8H2,2H3,(H,14,16)
InChIKeyYNXATXDXLQNYIC-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.04
Rot. Bonds6

About ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-prop-2-enylamino]acetate

ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-prop-2-enylamino]acetate (PubChem CID 113331322) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-prop-2-enylamino]acetate
PubChem CID113331322
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Nameethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H15N3O4/c1-3-7-15(8-11(17)19-4-2)12(18)9-5-6-10(16)14-13-9/h3,5-6H,1,4,7-8H2,2H3,(H,14,16)
InChIKeyYNXATXDXLQNYIC-UHFFFAOYSA-N
XLogP-0.04
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-propylamino]acetate
CID 54898620
ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate
CID 113411906
ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate
CID 79001277
ethyl 2-[[4-(methylsulfanylmethyl)benzoyl]-prop-2-enylamino]acetate
CID 78978188
ethyl 2-[(1-ethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate
CID 113331340
ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate
CID 78978395
ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate
CID 113331339
ethyl 2-[(4-hydroxy-2-methylbenzoyl)-prop-2-enylamino]acetate
CID 103874553
ethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate
CID 113235364
ethyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-prop-2-enylamino]acetate
CID 115538810
ethyl 2-[[(E)-3-phenylprop-2-enoyl]-prop-2-enylamino]acetate
CID 78978456
ethyl 2-[(3-fluoro-4-methylbenzoyl)-prop-2-enylamino]acetate
CID 78978449

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-prop-2-enylamino]acetate (CID 113331322) is ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-prop-2-enylamino]acetate is C=CCN(CC(=O)OCC)C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-prop-2-enylamino]acetate?
The InChIKey is YNXATXDXLQNYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-3-7-15(8-11(17)19-4-2)12(18)9-5-6-10(16)14-13-9/h3,5-6H,1,4,7-8H2,2H3,(H,14,16).
What are the key properties of ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-prop-2-enylamino]acetate?
ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-prop-2-enylamino]acetate has a molecular weight of 265.27 g/mol, XLogP of -0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-prop-2-enylamino]acetate is sourced from PubChem (CID 113331322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).