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

C9H13N3O4 — CID 3613674

IUPAC[2-(ethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESCCNC(=O)COC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C9H13N3O4/c1-2-10-8(14)5-16-9(15)6-3-4-7(13)12-11-6/h2-5H2,1H3,(H,10,14)(H,12,13)
InChIKeyOTEWBRQVIKGHEJ-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.07
Rot. Bonds4

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

[2-(ethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (PubChem CID 3613674) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
PubChem CID3613674
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name[2-(ethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESCCNC(=O)COC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C9H13N3O4/c1-2-10-8(14)5-16-9(15)6-3-4-7(13)12-11-6/h2-5H2,1H3,(H,10,14)(H,12,13)
InChIKeyOTEWBRQVIKGHEJ-UHFFFAOYSA-N
XLogP-1.07
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(pentan-2-ylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 4545690
(3,3-dimethyl-2-oxobutyl) 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203153
[2-(2,6-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203173
[2-oxo-2-(2-phenoxyethylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 8522233
[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 5029985
N-[2-(ethylamino)-2-oxoethyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60959401
[2-(3,4-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203166
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7520307
[2-(2-benzylsulfanylethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7486978
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 11889900
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203249
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203280

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (CID 3613674) is [2-(ethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is CCNC(=O)COC(=O)C1=NNC(=O)CC1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The InChIKey is OTEWBRQVIKGHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-2-10-8(14)5-16-9(15)6-3-4-7(13)12-11-6/h2-5H2,1H3,(H,10,14)(H,12,13).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
[2-(ethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate has a molecular weight of 227.22 g/mol, XLogP of -1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is sourced from PubChem (CID 3613674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).