4-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid

C12H15N3O5 — CID 66238377

IUPAC4-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)c1ccc(=O)n(C)n1)C1COCC1C(=O)O
InChIInChI=1S/C12H15N3O5/c1-14(9-6-20-5-7(9)12(18)19)11(17)8-3-4-10(16)15(2)13-8/h3-4,7,9H,5-6H2,1-2H3,(H,18,19)
InChIKeyLHVVVRYPBKSBTF-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.05
Rot. Bonds3

About 4-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid

4-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66238377) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66238377
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name4-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)c1ccc(=O)n(C)n1)C1COCC1C(=O)O
InChIInChI=1S/C12H15N3O5/c1-14(9-6-20-5-7(9)12(18)19)11(17)8-3-4-10(16)15(2)13-8/h3-4,7,9H,5-6H2,1-2H3,(H,18,19)
InChIKeyLHVVVRYPBKSBTF-UHFFFAOYSA-N
XLogP-1.05
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 114218928
4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 107971541
4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid
CID 66235943
4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66237142
4-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266134
4-[methyl-(4-methylsulfanylbenzoyl)amino]oxolane-3-carboxylic acid
CID 66236756
4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid
CID 66235348
4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66238171
4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 106851090
1-methyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-6-oxopyridazine-3-carboxamide
CID 90607257
4-[methyl-(1-methyl-5-nitropyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66235723
N-(2-hydroxyethyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide
CID 60652659

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid (CID 66238377) is 4-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid is CN(C(=O)c1ccc(=O)n(C)n1)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is LHVVVRYPBKSBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-14(9-6-20-5-7(9)12(18)19)11(17)8-3-4-10(16)15(2)13-8/h3-4,7,9H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 4-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid?
4-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).