2-[3-(tert-butylamino)propyl]pyridazin-3-one

C11H19N3O — CID 62849615

IUPAC2-[3-(tert-butylamino)propyl]pyridazin-3-one
SMILESCC(C)(C)NCCCn1ncccc1=O
InChIInChI=1S/C11H19N3O/c1-11(2,3)12-7-5-9-14-10(15)6-4-8-13-14/h4,6,8,12H,5,7,9H2,1-3H3
InChIKeyUEASPIVEWYQUCA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.02
Rot. Bonds4

About 2-[3-(tert-butylamino)propyl]pyridazin-3-one

2-[3-(tert-butylamino)propyl]pyridazin-3-one (PubChem CID 62849615) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[3-(tert-butylamino)propyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[3-(tert-butylamino)propyl]pyridazin-3-one
PubChem CID62849615
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[3-(tert-butylamino)propyl]pyridazin-3-one
SMILESCC(C)(C)NCCCn1ncccc1=O
InChIInChI=1S/C11H19N3O/c1-11(2,3)12-7-5-9-14-10(15)6-4-8-13-14/h4,6,8,12H,5,7,9H2,1-3H3
InChIKeyUEASPIVEWYQUCA-UHFFFAOYSA-N
XLogP1.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
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 2-[3-(tert-butylamino)propyl]pyridazin-3-one?
The IUPAC name of 2-[3-(tert-butylamino)propyl]pyridazin-3-one (CID 62849615) is 2-[3-(tert-butylamino)propyl]pyridazin-3-one.
What is the SMILES notation for 2-[3-(tert-butylamino)propyl]pyridazin-3-one?
The canonical SMILES for 2-[3-(tert-butylamino)propyl]pyridazin-3-one is CC(C)(C)NCCCn1ncccc1=O.
What is the InChIKey of 2-[3-(tert-butylamino)propyl]pyridazin-3-one?
The InChIKey is UEASPIVEWYQUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)12-7-5-9-14-10(15)6-4-8-13-14/h4,6,8,12H,5,7,9H2,1-3H3.
What are the key properties of 2-[3-(tert-butylamino)propyl]pyridazin-3-one?
2-[3-(tert-butylamino)propyl]pyridazin-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(tert-butylamino)propyl]pyridazin-3-one is sourced from PubChem (CID 62849615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).