2-(2-hydroxy-3-methylpentyl)-5-methylpyridazin-3-one

C11H18N2O2 — CID 106548970

IUPAC2-(2-hydroxy-3-methylpentyl)-5-methylpyridazin-3-one
SMILESCCC(C)C(O)Cn1ncc(C)cc1=O
InChIInChI=1S/C11H18N2O2/c1-4-9(3)10(14)7-13-11(15)5-8(2)6-12-13/h5-6,9-10,14H,4,7H2,1-3H3
InChIKeyJHHJIZWPXXLXGZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.96
Rot. Bonds4

About 2-(2-hydroxy-3-methylpentyl)-5-methylpyridazin-3-one

2-(2-hydroxy-3-methylpentyl)-5-methylpyridazin-3-one (PubChem CID 106548970) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methylpentyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-3-methylpentyl)-5-methylpyridazin-3-one
PubChem CID106548970
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(2-hydroxy-3-methylpentyl)-5-methylpyridazin-3-one
SMILESCCC(C)C(O)Cn1ncc(C)cc1=O
InChIInChI=1S/C11H18N2O2/c1-4-9(3)10(14)7-13-11(15)5-8(2)6-12-13/h5-6,9-10,14H,4,7H2,1-3H3
InChIKeyJHHJIZWPXXLXGZ-UHFFFAOYSA-N
XLogP0.96
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Hydroxypentyl)pyridazin-3-one
CID 62848741
2-(2-Cyclopropyl-2-hydroxyethyl)pyridazin-3-one
CID 63905587
2-(2-Hydroxy-3-methylpentyl)pyridazin-3-one
CID 80448787
2-(2-Hydroxy-3-methylbutyl)pyridazin-3-one
CID 80449215
2-(2-Hydroxypropyl)-5-methylpyridazin-3-one
CID 106548847
2-(2,3-Dihydroxypropyl)-5-methylpyridazin-3-one
CID 106548849
2-(5-Hydroxypentyl)-5-methylpyridazin-3-one
CID 106548853
2-(3-Hydroxybutan-2-yl)-5-methylpyridazin-3-one
CID 106548854
2-(3-Hydroxybutyl)-5-methylpyridazin-3-one
CID 106548855
2-(2-Hydroxybutyl)-5-methylpyridazin-3-one
CID 106548856
2-(5-Hydroxyhexyl)-5-methylpyridazin-3-one
CID 106548962
2-(2-Hydroxypentyl)-5-methylpyridazin-3-one
CID 106548976

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methylpentyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(2-hydroxy-3-methylpentyl)-5-methylpyridazin-3-one (CID 106548970) is 2-(2-hydroxy-3-methylpentyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxy-3-methylpentyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(2-hydroxy-3-methylpentyl)-5-methylpyridazin-3-one is CCC(C)C(O)Cn1ncc(C)cc1=O.
What is the InChIKey of 2-(2-hydroxy-3-methylpentyl)-5-methylpyridazin-3-one?
The InChIKey is JHHJIZWPXXLXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-9(3)10(14)7-13-11(15)5-8(2)6-12-13/h5-6,9-10,14H,4,7H2,1-3H3.
What are the key properties of 2-(2-hydroxy-3-methylpentyl)-5-methylpyridazin-3-one?
2-(2-hydroxy-3-methylpentyl)-5-methylpyridazin-3-one has a molecular weight of 210.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methylpentyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).