4-pentoxy-1H-pyridazin-6-one

C9H14N2O2 — CID 71607387

IUPAC4-pentoxy-1H-pyridazin-6-one
SMILESCCCCCOc1cn[nH]c(=O)c1
InChIInChI=1S/C9H14N2O2/c1-2-3-4-5-13-8-6-9(12)11-10-7-8/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyHZWCYTCBERTCCK-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.34
Rot. Bonds5

About 4-pentoxy-1H-pyridazin-6-one

4-pentoxy-1H-pyridazin-6-one (PubChem CID 71607387) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-pentoxy-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-pentoxy-1H-pyridazin-6-one
PubChem CID71607387
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-pentoxy-1H-pyridazin-6-one
SMILESCCCCCOc1cn[nH]c(=O)c1
InChIInChI=1S/C9H14N2O2/c1-2-3-4-5-13-8-6-9(12)11-10-7-8/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyHZWCYTCBERTCCK-UHFFFAOYSA-N
XLogP1.34
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-pentoxy-1H-pyridazin-6-one?
The IUPAC name of 4-pentoxy-1H-pyridazin-6-one (CID 71607387) is 4-pentoxy-1H-pyridazin-6-one.
What is the SMILES notation for 4-pentoxy-1H-pyridazin-6-one?
The canonical SMILES for 4-pentoxy-1H-pyridazin-6-one is CCCCCOc1cn[nH]c(=O)c1.
What is the InChIKey of 4-pentoxy-1H-pyridazin-6-one?
The InChIKey is HZWCYTCBERTCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-3-4-5-13-8-6-9(12)11-10-7-8/h6-7H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-pentoxy-1H-pyridazin-6-one?
4-pentoxy-1H-pyridazin-6-one has a molecular weight of 182.22 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxy-1H-pyridazin-6-one is sourced from PubChem (CID 71607387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).