1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

C10H15N3O5 — CID 54956479

IUPAC1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESCOCCNC(=O)CN1N=C(C(=O)O)CCC1=O
InChIInChI=1S/C10H15N3O5/c1-18-5-4-11-8(14)6-13-9(15)3-2-7(12-13)10(16)17/h2-6H2,1H3,(H,11,14)(H,16,17)
InChIKeyHFEILVVUZRAFGP-UHFFFAOYSA-N
MW257.25 g/mol
LogP-1.19
Rot. Bonds6

About 1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 54956479) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID54956479
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESCOCCNC(=O)CN1N=C(C(=O)O)CCC1=O
InChIInChI=1S/C10H15N3O5/c1-18-5-4-11-8(14)6-13-9(15)3-2-7(12-13)10(16)17/h2-6H2,1H3,(H,11,14)(H,16,17)
InChIKeyHFEILVVUZRAFGP-UHFFFAOYSA-N
XLogP-1.19
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid
CID 61492572
6-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid
CID 61489951
N-(2-methoxyethyl)-2-(2-oxopiperazin-1-yl)acetamide;hydrochloride
CID 119669590
N-[2-(2-methoxyethoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78874251
1-[2-(3-methylbutoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 54956727
3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid
CID 82225305
1-(3-methylbut-3-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 114472859
N-(3-methoxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 94869868
N-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 9375273
methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 78913615
N-(3-ethoxypropyl)-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 20968523
N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 115944319

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (CID 54956479) is 1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is COCCNC(=O)CN1N=C(C(=O)O)CCC1=O.
What is the InChIKey of 1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is HFEILVVUZRAFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-18-5-4-11-8(14)6-13-9(15)3-2-7(12-13)10(16)17/h2-6H2,1H3,(H,11,14)(H,16,17).
What are the key properties of 1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of -1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 54956479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).