6-(5-chloro-2-pyridinyl)-2-(2-pentoxyethyl)pyridazin-3-one

C16H20ClN3O2 — CID 70961864

IUPAC6-(5-chloro-2-pyridinyl)-2-(2-pentoxyethyl)pyridazin-3-one
SMILESCCCCCOCCn1nc(-c2ccc(Cl)cn2)ccc1=O
InChIInChI=1S/C16H20ClN3O2/c1-2-3-4-10-22-11-9-20-16(21)8-7-15(19-20)14-6-5-13(17)12-18-14/h5-8,12H,2-4,9-11H2,1H3
InChIKeySZVSPOYGWDLUJD-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.17
Rot. Bonds8

About 6-(5-chloro-2-pyridinyl)-2-(2-pentoxyethyl)pyridazin-3-one

6-(5-chloro-2-pyridinyl)-2-(2-pentoxyethyl)pyridazin-3-one (PubChem CID 70961864) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 6-(5-chloro-2-pyridinyl)-2-(2-pentoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(5-chloro-2-pyridinyl)-2-(2-pentoxyethyl)pyridazin-3-one
PubChem CID70961864
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name6-(5-chloro-2-pyridinyl)-2-(2-pentoxyethyl)pyridazin-3-one
SMILESCCCCCOCCn1nc(-c2ccc(Cl)cn2)ccc1=O
InChIInChI=1S/C16H20ClN3O2/c1-2-3-4-10-22-11-9-20-16(21)8-7-15(19-20)14-6-5-13(17)12-18-14/h5-8,12H,2-4,9-11H2,1H3
InChIKeySZVSPOYGWDLUJD-UHFFFAOYSA-N
XLogP3.17
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.17
H-Bond Donors ≤ 50
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 6-(5-chloro-2-pyridinyl)-2-(2-pentoxyethyl)pyridazin-3-one?
The IUPAC name of 6-(5-chloro-2-pyridinyl)-2-(2-pentoxyethyl)pyridazin-3-one (CID 70961864) is 6-(5-chloro-2-pyridinyl)-2-(2-pentoxyethyl)pyridazin-3-one.
What is the SMILES notation for 6-(5-chloro-2-pyridinyl)-2-(2-pentoxyethyl)pyridazin-3-one?
The canonical SMILES for 6-(5-chloro-2-pyridinyl)-2-(2-pentoxyethyl)pyridazin-3-one is CCCCCOCCn1nc(-c2ccc(Cl)cn2)ccc1=O.
What is the InChIKey of 6-(5-chloro-2-pyridinyl)-2-(2-pentoxyethyl)pyridazin-3-one?
The InChIKey is SZVSPOYGWDLUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-2-3-4-10-22-11-9-20-16(21)8-7-15(19-20)14-6-5-13(17)12-18-14/h5-8,12H,2-4,9-11H2,1H3.
What are the key properties of 6-(5-chloro-2-pyridinyl)-2-(2-pentoxyethyl)pyridazin-3-one?
6-(5-chloro-2-pyridinyl)-2-(2-pentoxyethyl)pyridazin-3-one has a molecular weight of 321.81 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-pyridinyl)-2-(2-pentoxyethyl)pyridazin-3-one is sourced from PubChem (CID 70961864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).