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

C11H13N3O5 — CID 64889001

IUPAC3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCn1nc(C(=O)NC2(C(=O)O)CCOC2)ccc1=O
InChIInChI=1S/C11H13N3O5/c1-14-8(15)3-2-7(13-14)9(16)12-11(10(17)18)4-5-19-6-11/h2-3H,4-6H2,1H3,(H,12,16)(H,17,18)
InChIKeySYMRHLCZPSGQPJ-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.25
Rot. Bonds3

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

3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 64889001) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID64889001
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCn1nc(C(=O)NC2(C(=O)O)CCOC2)ccc1=O
InChIInChI=1S/C11H13N3O5/c1-14-8(15)3-2-7(13-14)9(16)12-11(10(17)18)4-5-19-6-11/h2-3H,4-6H2,1H3,(H,12,16)(H,17,18)
InChIKeySYMRHLCZPSGQPJ-UHFFFAOYSA-N
XLogP-1.25
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103954300
3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 104638297
N-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 113344802
N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55082531
3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid
CID 120532707
3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
CID 64890394
3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid
CID 64890738
3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 64888237
3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid
CID 64889563
3-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]oxolane-3-carboxylic acid
CID 64888025
2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545640
(3S)-3-[(3,5-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 141279182

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid (CID 64889001) is 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid is Cn1nc(C(=O)NC2(C(=O)O)CCOC2)ccc1=O.
What is the InChIKey of 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is SYMRHLCZPSGQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-14-8(15)3-2-7(13-14)9(16)12-11(10(17)18)4-5-19-6-11/h2-3H,4-6H2,1H3,(H,12,16)(H,17,18).
What are the key properties of 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64889001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).