N-(2-aminoethyl)-N'-(6-oxo-1H-pyridazin-3-yl)oxamide

C8H11N5O3 — CID 116786136

IUPACN-(2-aminoethyl)-N'-(6-oxo-1H-pyridazin-3-yl)oxamide
SMILESNCCNC(=O)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C8H11N5O3/c9-3-4-10-7(15)8(16)11-5-1-2-6(14)13-12-5/h1-2H,3-4,9H2,(H,10,15)(H,13,14)(H,11,12,16)
InChIKeyZKCFPPMHGUEVQJ-UHFFFAOYSA-N
MW225.21 g/mol
LogP-2.22
Rot. Bonds3

About N-(2-aminoethyl)-N'-(6-oxo-1H-pyridazin-3-yl)oxamide

N-(2-aminoethyl)-N'-(6-oxo-1H-pyridazin-3-yl)oxamide (PubChem CID 116786136) has the molecular formula C8H11N5O3 and a molecular weight of 225.21 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-(6-oxo-1H-pyridazin-3-yl)oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-(6-oxo-1H-pyridazin-3-yl)oxamide
PubChem CID116786136
Molecular FormulaC8H11N5O3
Molecular Weight225.21 g/mol
Exact Mass225.09
IUPAC NameN-(2-aminoethyl)-N'-(6-oxo-1H-pyridazin-3-yl)oxamide
SMILESNCCNC(=O)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C8H11N5O3/c9-3-4-10-7(15)8(16)11-5-1-2-6(14)13-12-5/h1-2H,3-4,9H2,(H,10,15)(H,13,14)(H,11,12,16)
InChIKeyZKCFPPMHGUEVQJ-UHFFFAOYSA-N
XLogP-2.22
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-(6-oxo-1H-pyridazin-3-yl)oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-(6-oxo-1H-pyridazin-3-yl)oxamide (CID 116786136) is N-(2-aminoethyl)-N'-(6-oxo-1H-pyridazin-3-yl)oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-(6-oxo-1H-pyridazin-3-yl)oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-(6-oxo-1H-pyridazin-3-yl)oxamide is NCCNC(=O)C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of N-(2-aminoethyl)-N'-(6-oxo-1H-pyridazin-3-yl)oxamide?
The InChIKey is ZKCFPPMHGUEVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3/c9-3-4-10-7(15)8(16)11-5-1-2-6(14)13-12-5/h1-2H,3-4,9H2,(H,10,15)(H,13,14)(H,11,12,16).
What are the key properties of N-(2-aminoethyl)-N'-(6-oxo-1H-pyridazin-3-yl)oxamide?
N-(2-aminoethyl)-N'-(6-oxo-1H-pyridazin-3-yl)oxamide has a molecular weight of 225.21 g/mol, XLogP of -2.22, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-(6-oxo-1H-pyridazin-3-yl)oxamide is sourced from PubChem (CID 116786136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).