2-(5-hydroxyhexyl)-5-methylpyridazin-3-one

C11H18N2O2 — CID 106548962

IUPAC2-(5-hydroxyhexyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCCCC(C)O)c(=O)c1
InChIInChI=1S/C11H18N2O2/c1-9-7-11(15)13(12-8-9)6-4-3-5-10(2)14/h7-8,10,14H,3-6H2,1-2H3
InChIKeyPNHDKTZXYSLHQE-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.10
Rot. Bonds5

About 2-(5-hydroxyhexyl)-5-methylpyridazin-3-one

2-(5-hydroxyhexyl)-5-methylpyridazin-3-one (PubChem CID 106548962) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(5-hydroxyhexyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(5-hydroxyhexyl)-5-methylpyridazin-3-one
PubChem CID106548962
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(5-hydroxyhexyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCCCC(C)O)c(=O)c1
InChIInChI=1S/C11H18N2O2/c1-9-7-11(15)13(12-8-9)6-4-3-5-10(2)14/h7-8,10,14H,3-6H2,1-2H3
InChIKeyPNHDKTZXYSLHQE-UHFFFAOYSA-N
XLogP1.10
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.10
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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Related Compounds

2-(5-Hydroxyhexyl)pyridazin-3-one
CID 62850866
2-(4-Hydroxybutyl)-5-methylpyridazin-3-one
CID 106548844
2-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridazin-3-one
CID 106548846
2-(5-Hydroxypentyl)-5-methylpyridazin-3-one
CID 106548853
2-(3-Hydroxybutyl)-5-methylpyridazin-3-one
CID 106548855
2-(2-Hydroxybutyl)-5-methylpyridazin-3-one
CID 106548856
2-(2-Hydroxy-3-methylpentyl)-5-methylpyridazin-3-one
CID 106548970
2-(2-Hydroxypentyl)-5-methylpyridazin-3-one
CID 106548976
2-(2-Hydroxy-3-methylbutyl)-5-methylpyridazin-3-one
CID 106548977
2-(2-Cyclopentyl-2-hydroxyethyl)-5-methylpyridazin-3-one
CID 106548985
2-(4-Hydroxypentyl)-5-methylpyridazin-3-one
CID 106548991
2-(2-Cyclopropyl-2-hydroxyethyl)-5-methylpyridazin-3-one
CID 106548997

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxyhexyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(5-hydroxyhexyl)-5-methylpyridazin-3-one (CID 106548962) is 2-(5-hydroxyhexyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(5-hydroxyhexyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(5-hydroxyhexyl)-5-methylpyridazin-3-one is Cc1cnn(CCCCC(C)O)c(=O)c1.
What is the InChIKey of 2-(5-hydroxyhexyl)-5-methylpyridazin-3-one?
The InChIKey is PNHDKTZXYSLHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9-7-11(15)13(12-8-9)6-4-3-5-10(2)14/h7-8,10,14H,3-6H2,1-2H3.
What are the key properties of 2-(5-hydroxyhexyl)-5-methylpyridazin-3-one?
2-(5-hydroxyhexyl)-5-methylpyridazin-3-one has a molecular weight of 210.28 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxyhexyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).