6-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H20N4O2 — CID 43400604

IUPAC6-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCCN2CCCC2)=NN1
InChIInChI=1S/C12H20N4O2/c17-11-5-4-10(14-15-11)12(18)13-6-3-9-16-7-1-2-8-16/h1-9H2,(H,13,18)(H,15,17)
InChIKeyUJJXOXFEHLJPGA-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.15
Rot. Bonds5

About 6-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 43400604) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID43400604
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCCN2CCCC2)=NN1
InChIInChI=1S/C12H20N4O2/c17-11-5-4-10(14-15-11)12(18)13-6-3-9-16-7-1-2-8-16/h1-9H2,(H,13,18)(H,15,17)
InChIKeyUJJXOXFEHLJPGA-UHFFFAOYSA-N
XLogP-0.15
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
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 6-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 43400604) is 6-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NCCCN2CCCC2)=NN1.
What is the InChIKey of 6-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is UJJXOXFEHLJPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c17-11-5-4-10(14-15-11)12(18)13-6-3-9-16-7-1-2-8-16/h1-9H2,(H,13,18)(H,15,17).
What are the key properties of 6-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43400604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).