2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propanediamide

C8H9N5O4 — CID 30692494

IUPAC2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propanediamide
SMILESNC(=O)C(NC(=O)c1ccc(=O)[nH]n1)C(N)=O
InChIInChI=1S/C8H9N5O4/c9-6(15)5(7(10)16)11-8(17)3-1-2-4(14)13-12-3/h1-2,5H,(H2,9,15)(H2,10,16)(H,11,17)(H,13,14)
InChIKeyITJNFEQYVTYTFS-UHFFFAOYSA-N
MW239.19 g/mol
LogP-3.16
Rot. Bonds4

About 2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propanediamide

2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propanediamide (PubChem CID 30692494) has the molecular formula C8H9N5O4 and a molecular weight of 239.19 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propanediamide.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propanediamide
PubChem CID30692494
Molecular FormulaC8H9N5O4
Molecular Weight239.19 g/mol
Exact Mass239.07
IUPAC Name2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propanediamide
SMILESNC(=O)C(NC(=O)c1ccc(=O)[nH]n1)C(N)=O
InChIInChI=1S/C8H9N5O4/c9-6(15)5(7(10)16)11-8(17)3-1-2-4(14)13-12-3/h1-2,5H,(H2,9,15)(H2,10,16)(H,11,17)(H,13,14)
InChIKeyITJNFEQYVTYTFS-UHFFFAOYSA-N
XLogP-3.16
TPSA161.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 5-3.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propanediamide?
The IUPAC name of 2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propanediamide (CID 30692494) is 2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propanediamide.
What is the SMILES notation for 2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propanediamide?
The canonical SMILES for 2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propanediamide is NC(=O)C(NC(=O)c1ccc(=O)[nH]n1)C(N)=O.
What is the InChIKey of 2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propanediamide?
The InChIKey is ITJNFEQYVTYTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O4/c9-6(15)5(7(10)16)11-8(17)3-1-2-4(14)13-12-3/h1-2,5H,(H2,9,15)(H2,10,16)(H,11,17)(H,13,14).
What are the key properties of 2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propanediamide?
2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propanediamide has a molecular weight of 239.19 g/mol, XLogP of -3.16, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propanediamide is sourced from PubChem (CID 30692494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).