4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid

C17H17N3O5 — CID 154743508

IUPAC4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C17H17N3O5/c21-15-7-6-13(18-20(15)10-12-4-2-1-3-5-12)16(22)19-8-9-25-11-14(19)17(23)24/h1-7,14H,8-11H2,(H,23,24)
InChIKeyINIOEJONNJYQPU-UHFFFAOYSA-N
MW343.34 g/mol
LogP0.22
Rot. Bonds4

About 4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid

4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid (PubChem CID 154743508) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid
PubChem CID154743508
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C17H17N3O5/c21-15-7-6-13(18-20(15)10-12-4-2-1-3-5-12)16(22)19-8-9-25-11-14(19)17(23)24/h1-7,14H,8-11H2,(H,23,24)
InChIKeyINIOEJONNJYQPU-UHFFFAOYSA-N
XLogP0.22
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-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

1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide
CID 2469379
2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 51145418
1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 51157406
(3R)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid
CID 125153701
2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride
CID 119403547
4-[4-(pyrazol-1-ylmethyl)benzoyl]morpholine-3-carboxylic acid
CID 119216021
2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one
CID 39712553
2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
CID 112763043
4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid
CID 119215842
6-[(3S)-3-methylmorpholine-4-carbonyl]-2-phenylpyridazin-3-one
CID 94095562
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
2-benzyl-6-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]pyridazin-3-one
CID 134021721

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid (CID 154743508) is 4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is INIOEJONNJYQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c21-15-7-6-13(18-20(15)10-12-4-2-1-3-5-12)16(22)19-8-9-25-11-14(19)17(23)24/h1-7,14H,8-11H2,(H,23,24).
What are the key properties of 4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid?
4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 343.34 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 154743508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).