methyl 3-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoate

C10H15N3O4 — CID 54979984

IUPACmethyl 3-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H15N3O4/c1-13(6-5-9(15)17-2)10(16)7-3-4-8(14)12-11-7/h3-6H2,1-2H3,(H,12,14)
InChIKeyYTALIYUVFLPBFH-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.73
Rot. Bonds4

About methyl 3-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoate

methyl 3-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoate (PubChem CID 54979984) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl 3-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoate
PubChem CID54979984
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Namemethyl 3-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H15N3O4/c1-13(6-5-9(15)17-2)10(16)7-3-4-8(14)12-11-7/h3-6H2,1-2H3,(H,12,14)
InChIKeyYTALIYUVFLPBFH-UHFFFAOYSA-N
XLogP-0.73
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoate 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 methyl 3-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoate (CID 54979984) is methyl 3-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoate is COC(=O)CCN(C)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of methyl 3-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoate?
The InChIKey is YTALIYUVFLPBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-13(6-5-9(15)17-2)10(16)7-3-4-8(14)12-11-7/h3-6H2,1-2H3,(H,12,14).
What are the key properties of methyl 3-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoate?
methyl 3-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoate has a molecular weight of 241.25 g/mol, XLogP of -0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 54979984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).