[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

C12H13N3O5 — CID 5029985

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESO=C(COC(=O)C1=NNC(=O)CC1)NCc1ccco1
InChIInChI=1S/C12H13N3O5/c16-10-4-3-9(14-15-10)12(18)20-7-11(17)13-6-8-2-1-5-19-8/h1-2,5H,3-4,6-7H2,(H,13,17)(H,15,16)
InChIKeyPRTLMLJIWYJKQR-UHFFFAOYSA-N
MW279.25 g/mol
LogP-0.29
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (PubChem CID 5029985) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
PubChem CID5029985
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESO=C(COC(=O)C1=NNC(=O)CC1)NCc1ccco1
InChIInChI=1S/C12H13N3O5/c16-10-4-3-9(14-15-10)12(18)20-7-11(17)13-6-8-2-1-5-19-8/h1-2,5H,3-4,6-7H2,(H,13,17)(H,15,16)
InChIKeyPRTLMLJIWYJKQR-UHFFFAOYSA-N
XLogP-0.29
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate with MolForge

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2084919
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate
CID 7229191
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837303
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2355514
[2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969840
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8511954
[2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate
CID 23971743
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate
CID 17397079
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
N-(furan-2-ylmethyl)-1-(5-oxo-1,4-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide
CID 154860142

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (CID 5029985) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is O=C(COC(=O)C1=NNC(=O)CC1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The InChIKey is PRTLMLJIWYJKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5/c16-10-4-3-9(14-15-10)12(18)20-7-11(17)13-6-8-2-1-5-19-8/h1-2,5H,3-4,6-7H2,(H,13,17)(H,15,16).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate has a molecular weight of 279.25 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is sourced from PubChem (CID 5029985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).