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

C9H13N3O4 — CID 43355116

IUPAC4-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C9H13N3O4/c13-7-4-3-6(11-12-7)9(16)10-5-1-2-8(14)15/h1-5H2,(H,10,16)(H,12,13)(H,14,15)
InChIKeyXPEGXXKGJTZQNG-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.77
Rot. Bonds5

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

4-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 43355116) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 4-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
PubChem CID43355116
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name4-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C9H13N3O4/c13-7-4-3-6(11-12-7)9(16)10-5-1-2-8(14)15/h1-5H2,(H,10,16)(H,12,13)(H,14,15)
InChIKeyXPEGXXKGJTZQNG-UHFFFAOYSA-N
XLogP-0.77
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
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-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid (CID 43355116) is 4-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid is O=C(O)CCCNC(=O)C1=NNC(=O)CC1.
What is the InChIKey of 4-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is XPEGXXKGJTZQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c13-7-4-3-6(11-12-7)9(16)10-5-1-2-8(14)15/h1-5H2,(H,10,16)(H,12,13)(H,14,15).
What are the key properties of 4-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
4-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 227.22 g/mol, XLogP of -0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43355116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).