1-acetyl-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide

C13H18N4O3 — CID 71785485

IUPAC1-acetyl-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCCCn2ncccc2=O)C1
InChIInChI=1S/C13H18N4O3/c1-10(18)16-8-11(9-16)13(20)14-5-3-7-17-12(19)4-2-6-15-17/h2,4,6,11H,3,5,7-9H2,1H3,(H,14,20)
InChIKeyQFSUYDBOFXTAHW-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.77
Rot. Bonds5

About 1-acetyl-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide

1-acetyl-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide (PubChem CID 71785485) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-acetyl-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide
PubChem CID71785485
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name1-acetyl-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCCCn2ncccc2=O)C1
InChIInChI=1S/C13H18N4O3/c1-10(18)16-8-11(9-16)13(20)14-5-3-7-17-12(19)4-2-6-15-17/h2,4,6,11H,3,5,7-9H2,1H3,(H,14,20)
InChIKeyQFSUYDBOFXTAHW-UHFFFAOYSA-N
XLogP-0.77
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-acetyl-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide (CID 71785485) is 1-acetyl-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide is CC(=O)N1CC(C(=O)NCCCn2ncccc2=O)C1.
What is the InChIKey of 1-acetyl-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide?
The InChIKey is QFSUYDBOFXTAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-10(18)16-8-11(9-16)13(20)14-5-3-7-17-12(19)4-2-6-15-17/h2,4,6,11H,3,5,7-9H2,1H3,(H,14,20).
What are the key properties of 1-acetyl-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide?
1-acetyl-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of -0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide is sourced from PubChem (CID 71785485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).