4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid

C10H15N3O4 — CID 43355089

IUPAC4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
SMILESCN1N=C(C(=O)NCCCC(=O)O)CCC1=O
InChIInChI=1S/C10H15N3O4/c1-13-8(14)5-4-7(12-13)10(17)11-6-2-3-9(15)16/h2-6H2,1H3,(H,11,17)(H,15,16)
InChIKeyDRTBJELRGIXLHA-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.42
Rot. Bonds5

About 4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid

4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 43355089) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
PubChem CID43355089
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
SMILESCN1N=C(C(=O)NCCCC(=O)O)CCC1=O
InChIInChI=1S/C10H15N3O4/c1-13-8(14)5-4-7(12-13)10(17)11-6-2-3-9(15)16/h2-6H2,1H3,(H,11,17)(H,15,16)
InChIKeyDRTBJELRGIXLHA-UHFFFAOYSA-N
XLogP-0.42
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid (CID 43355089) is 4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid is CN1N=C(C(=O)NCCCC(=O)O)CCC1=O.
What is the InChIKey of 4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is DRTBJELRGIXLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-13-8(14)5-4-7(12-13)10(17)11-6-2-3-9(15)16/h2-6H2,1H3,(H,11,17)(H,15,16).
What are the key properties of 4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43355089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).