1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid

C10H11N3O4 — CID 81158525

IUPAC1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H11N3O4/c14-7-3-2-6(12-13-7)8(15)11-10(9(16)17)4-1-5-10/h2-3H,1,4-5H2,(H,11,15)(H,13,14)(H,16,17)
InChIKeySJIBGOGRNKFOEP-UHFFFAOYSA-N
MW237.21 g/mol
LogP-0.49
Rot. Bonds3

About 1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81158525) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81158525
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H11N3O4/c14-7-3-2-6(12-13-7)8(15)11-10(9(16)17)4-1-5-10/h2-3H,1,4-5H2,(H,11,15)(H,13,14)(H,16,17)
InChIKeySJIBGOGRNKFOEP-UHFFFAOYSA-N
XLogP-0.49
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]cyclobutane-1-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

Frequently Asked Questions

What is the IUPAC name of 1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 81158525) is 1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)c1ccc(=O)[nH]n1.
What is the InChIKey of 1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is SJIBGOGRNKFOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c14-7-3-2-6(12-13-7)8(15)11-10(9(16)17)4-1-5-10/h2-3H,1,4-5H2,(H,11,15)(H,13,14)(H,16,17).
What are the key properties of 1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 237.21 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81158525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).