4-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]oxolane-3-carboxylic acid

C13H17N3O5 — CID 66235324

IUPAC4-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCc1n[nH]c(=O)c(C(=O)N(C)C2COCC2C(=O)O)c1C
InChIInChI=1S/C13H17N3O5/c1-6-7(2)14-15-11(17)10(6)12(18)16(3)9-5-21-4-8(9)13(19)20/h8-9H,4-5H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyAPNOTJYSPAUNOI-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.44
Rot. Bonds3

About 4-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]oxolane-3-carboxylic acid

4-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 66235324) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]oxolane-3-carboxylic acid
PubChem CID66235324
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name4-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCc1n[nH]c(=O)c(C(=O)N(C)C2COCC2C(=O)O)c1C
InChIInChI=1S/C13H17N3O5/c1-6-7(2)14-15-11(17)10(6)12(18)16(3)9-5-21-4-8(9)13(19)20/h8-9H,4-5H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyAPNOTJYSPAUNOI-UHFFFAOYSA-N
XLogP-0.44
TPSA112.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66238171
4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66236338
4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 114218928
4-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66237371
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62819899
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-(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66238377
4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 107971541
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 104669777
4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid
CID 66236548
4-[(4-acetyl-1H-pyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66236360

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]oxolane-3-carboxylic acid (CID 66235324) is 4-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]oxolane-3-carboxylic acid is Cc1n[nH]c(=O)c(C(=O)N(C)C2COCC2C(=O)O)c1C.
What is the InChIKey of 4-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is APNOTJYSPAUNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-6-7(2)14-15-11(17)10(6)12(18)16(3)9-5-21-4-8(9)13(19)20/h8-9H,4-5H2,1-3H3,(H,15,17)(H,19,20).
What are the key properties of 4-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]oxolane-3-carboxylic acid?
4-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).