N-cyclohexyl-2-(3,6-dioxopyridazin-1-ium-1-yl)acetamide

C12H16N3O3+ — CID 71628665

IUPACN-cyclohexyl-2-(3,6-dioxopyridazin-1-ium-1-yl)acetamide
SMILESO=C1C=CC(=O)[N+](CC(=O)NC2CCCCC2)=N1
InChIInChI=1S/C12H15N3O3/c16-10-6-7-12(18)15(14-10)8-11(17)13-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2/p+1
InChIKeyOSUWNAUXUHQBJQ-UHFFFAOYSA-O
MW250.28 g/mol
LogP0.52
Rot. Bonds3

About N-cyclohexyl-2-(3,6-dioxopyridazin-1-ium-1-yl)acetamide

N-cyclohexyl-2-(3,6-dioxopyridazin-1-ium-1-yl)acetamide (PubChem CID 71628665) has the molecular formula C12H16N3O3+ and a molecular weight of 250.28 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,6-dioxopyridazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,6-dioxopyridazin-1-ium-1-yl)acetamide
PubChem CID71628665
Molecular FormulaC12H16N3O3+
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC NameN-cyclohexyl-2-(3,6-dioxopyridazin-1-ium-1-yl)acetamide
SMILESO=C1C=CC(=O)[N+](CC(=O)NC2CCCCC2)=N1
InChIInChI=1S/C12H15N3O3/c16-10-6-7-12(18)15(14-10)8-11(17)13-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2/p+1
InChIKeyOSUWNAUXUHQBJQ-UHFFFAOYSA-O
XLogP0.52
TPSA78.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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N-cyclohexyl-2-(5-fluoro-2-oxo-1-pyridinyl)acetamide
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CID 155810118
(E)-N-butyl-N-(1-(cyclohexylamino)-1-oxobutan-2-yl)but-2-enamide
CID 154585413
N-[2-(prop-2-enoylamino)cyclohexyl]prop-2-enamide
CID 19917281
(E)-N-[2-[[(E)-but-2-enoyl]amino]cyclohexyl]but-2-enamide
CID 58165361
N-(2-aminocyclohexyl)prop-2-enamide
CID 61038353
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CID 68448223

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,6-dioxopyridazin-1-ium-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3,6-dioxopyridazin-1-ium-1-yl)acetamide (CID 71628665) is N-cyclohexyl-2-(3,6-dioxopyridazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3,6-dioxopyridazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3,6-dioxopyridazin-1-ium-1-yl)acetamide is O=C1C=CC(=O)[N+](CC(=O)NC2CCCCC2)=N1.
What is the InChIKey of N-cyclohexyl-2-(3,6-dioxopyridazin-1-ium-1-yl)acetamide?
The InChIKey is OSUWNAUXUHQBJQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15N3O3/c16-10-6-7-12(18)15(14-10)8-11(17)13-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2/p+1.
What are the key properties of N-cyclohexyl-2-(3,6-dioxopyridazin-1-ium-1-yl)acetamide?
N-cyclohexyl-2-(3,6-dioxopyridazin-1-ium-1-yl)acetamide has a molecular weight of 250.28 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,6-dioxopyridazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 71628665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).