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

C8H11N3O4 — CID 43404738

IUPACmethyl 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C8H11N3O4/c1-15-7(13)4-9-8(14)5-2-3-6(12)11-10-5/h2-4H2,1H3,(H,9,14)(H,11,12)
InChIKeyKGSPEBAGXCQCEX-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.46
Rot. Bonds3

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

methyl 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate (PubChem CID 43404738) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is methyl 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate
PubChem CID43404738
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Namemethyl 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C8H11N3O4/c1-15-7(13)4-9-8(14)5-2-3-6(12)11-10-5/h2-4H2,1H3,(H,9,14)(H,11,12)
InChIKeyKGSPEBAGXCQCEX-UHFFFAOYSA-N
XLogP-1.46
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate (CID 43404738) is methyl 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate is COC(=O)CNC(=O)C1=NNC(=O)CC1.
What is the InChIKey of methyl 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate?
The InChIKey is KGSPEBAGXCQCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-15-7(13)4-9-8(14)5-2-3-6(12)11-10-5/h2-4H2,1H3,(H,9,14)(H,11,12).
What are the key properties of methyl 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate?
methyl 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate has a molecular weight of 213.19 g/mol, XLogP of -1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate is sourced from PubChem (CID 43404738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).