4-chloro-2-hexyl-5-hydroxypyridazin-3-one

C10H15ClN2O2 — CID 54682078

IUPAC4-chloro-2-hexyl-5-hydroxypyridazin-3-one
SMILESCCCCCCn1ncc(O)c(Cl)c1=O
InChIInChI=1S/C10H15ClN2O2/c1-2-3-4-5-6-13-10(15)9(11)8(14)7-12-13/h7,14H,2-6H2,1H3
InChIKeyXBAONJFGAHIUMA-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.18
Rot. Bonds5

About 4-chloro-2-hexyl-5-hydroxypyridazin-3-one

4-chloro-2-hexyl-5-hydroxypyridazin-3-one (PubChem CID 54682078) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 4-chloro-2-hexyl-5-hydroxypyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-hexyl-5-hydroxypyridazin-3-one
PubChem CID54682078
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name4-chloro-2-hexyl-5-hydroxypyridazin-3-one
SMILESCCCCCCn1ncc(O)c(Cl)c1=O
InChIInChI=1S/C10H15ClN2O2/c1-2-3-4-5-6-13-10(15)9(11)8(14)7-12-13/h7,14H,2-6H2,1H3
InChIKeyXBAONJFGAHIUMA-UHFFFAOYSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.18
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 4-chloro-2-hexyl-5-hydroxypyridazin-3-one?
The IUPAC name of 4-chloro-2-hexyl-5-hydroxypyridazin-3-one (CID 54682078) is 4-chloro-2-hexyl-5-hydroxypyridazin-3-one.
What is the SMILES notation for 4-chloro-2-hexyl-5-hydroxypyridazin-3-one?
The canonical SMILES for 4-chloro-2-hexyl-5-hydroxypyridazin-3-one is CCCCCCn1ncc(O)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-hexyl-5-hydroxypyridazin-3-one?
The InChIKey is XBAONJFGAHIUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-2-3-4-5-6-13-10(15)9(11)8(14)7-12-13/h7,14H,2-6H2,1H3.
What are the key properties of 4-chloro-2-hexyl-5-hydroxypyridazin-3-one?
4-chloro-2-hexyl-5-hydroxypyridazin-3-one has a molecular weight of 230.69 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hexyl-5-hydroxypyridazin-3-one is sourced from PubChem (CID 54682078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).