3-[3-(methylamino)propoxy]-1H-pyridazin-6-one

C8H13N3O2 — CID 122471473

IUPAC3-[3-(methylamino)propoxy]-1H-pyridazin-6-one
SMILESCNCCCOc1ccc(=O)[nH]n1
InChIInChI=1S/C8H13N3O2/c1-9-5-2-6-13-8-4-3-7(12)10-11-8/h3-4,9H,2,5-6H2,1H3,(H,10,12)
InChIKeyZBYSGPTXSQYAGI-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.24
Rot. Bonds5

About 3-[3-(methylamino)propoxy]-1H-pyridazin-6-one

3-[3-(methylamino)propoxy]-1H-pyridazin-6-one (PubChem CID 122471473) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[3-(methylamino)propoxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-(methylamino)propoxy]-1H-pyridazin-6-one
PubChem CID122471473
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-[3-(methylamino)propoxy]-1H-pyridazin-6-one
SMILESCNCCCOc1ccc(=O)[nH]n1
InChIInChI=1S/C8H13N3O2/c1-9-5-2-6-13-8-4-3-7(12)10-11-8/h3-4,9H,2,5-6H2,1H3,(H,10,12)
InChIKeyZBYSGPTXSQYAGI-UHFFFAOYSA-N
XLogP-0.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.24
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 3-[3-(methylamino)propoxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-(methylamino)propoxy]-1H-pyridazin-6-one (CID 122471473) is 3-[3-(methylamino)propoxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-(methylamino)propoxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-(methylamino)propoxy]-1H-pyridazin-6-one is CNCCCOc1ccc(=O)[nH]n1.
What is the InChIKey of 3-[3-(methylamino)propoxy]-1H-pyridazin-6-one?
The InChIKey is ZBYSGPTXSQYAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-9-5-2-6-13-8-4-3-7(12)10-11-8/h3-4,9H,2,5-6H2,1H3,(H,10,12).
What are the key properties of 3-[3-(methylamino)propoxy]-1H-pyridazin-6-one?
3-[3-(methylamino)propoxy]-1H-pyridazin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)propoxy]-1H-pyridazin-6-one is sourced from PubChem (CID 122471473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).