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

C9H13ClN2O2 — CID 58896774

IUPAC5-chloro-4-pentoxy-1H-pyridazin-6-one
SMILESCCCCCOc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C9H13ClN2O2/c1-2-3-4-5-14-7-6-11-12-9(13)8(7)10/h6H,2-5H2,1H3,(H,12,13)
InChIKeyUUFBBGINFBHZFU-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.99
Rot. Bonds5

About 5-chloro-4-pentoxy-1H-pyridazin-6-one

5-chloro-4-pentoxy-1H-pyridazin-6-one (PubChem CID 58896774) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 5-chloro-4-pentoxy-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-pentoxy-1H-pyridazin-6-one
PubChem CID58896774
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name5-chloro-4-pentoxy-1H-pyridazin-6-one
SMILESCCCCCOc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C9H13ClN2O2/c1-2-3-4-5-14-7-6-11-12-9(13)8(7)10/h6H,2-5H2,1H3,(H,12,13)
InChIKeyUUFBBGINFBHZFU-UHFFFAOYSA-N
XLogP1.99
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-chloro-4-pentoxy-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-pentoxy-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-pentoxy-1H-pyridazin-6-one (CID 58896774) is 5-chloro-4-pentoxy-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-pentoxy-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-pentoxy-1H-pyridazin-6-one is CCCCCOc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-pentoxy-1H-pyridazin-6-one?
The InChIKey is UUFBBGINFBHZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-2-3-4-5-14-7-6-11-12-9(13)8(7)10/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 5-chloro-4-pentoxy-1H-pyridazin-6-one?
5-chloro-4-pentoxy-1H-pyridazin-6-one has a molecular weight of 216.67 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-pentoxy-1H-pyridazin-6-one is sourced from PubChem (CID 58896774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).