6-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid

C12H19N3O4 — CID 61489951

IUPAC6-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid
SMILESCCC(CC)NC(=O)CN1N=C(C(=O)O)CCC1=O
InChIInChI=1S/C12H19N3O4/c1-3-8(4-2)13-10(16)7-15-11(17)6-5-9(14-15)12(18)19/h8H,3-7H2,1-2H3,(H,13,16)(H,18,19)
InChIKeyMHQGIDRBOKAVBT-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.35
Rot. Bonds6

About 6-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid

6-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 61489951) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID61489951
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name6-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid
SMILESCCC(CC)NC(=O)CN1N=C(C(=O)O)CCC1=O
InChIInChI=1S/C12H19N3O4/c1-3-8(4-2)13-10(16)7-15-11(17)6-5-9(14-15)12(18)19/h8H,3-7H2,1-2H3,(H,13,16)(H,18,19)
InChIKeyMHQGIDRBOKAVBT-UHFFFAOYSA-N
XLogP0.35
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 54956479
1-[2-(2-cyanoethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 43563833
1-(2,2-difluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 63937995
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-pentan-3-ylacetamide
CID 112778993
1-[(1-methylpyrazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 82870145
1-[2-(3-methylbutoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 54956727
2-(3-ethyl-4-oxopiperidin-1-yl)-N-pentan-3-ylacetamide
CID 114509023
1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-carboxylic acid
CID 61489667
2-(2,4-dioxoimidazolidin-1-yl)-N-pentan-3-ylacetamide
CID 63928923
2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide
CID 116624308
2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-3-methylpentanoic acid
CID 119211584
1-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 53336336

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid (CID 61489951) is 6-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid is CCC(CC)NC(=O)CN1N=C(C(=O)O)CCC1=O.
What is the InChIKey of 6-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is MHQGIDRBOKAVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-8(4-2)13-10(16)7-15-11(17)6-5-9(14-15)12(18)19/h8H,3-7H2,1-2H3,(H,13,16)(H,18,19).
What are the key properties of 6-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid?
6-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 61489951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).