5-hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one

C12H20N2O2 — CID 142777716

IUPAC5-hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one
SMILESCC(C)CCn1nc(C(C)C)c(O)cc1=O
InChIInChI=1S/C12H20N2O2/c1-8(2)5-6-14-11(16)7-10(15)12(13-14)9(3)4/h7-9,15H,5-6H2,1-4H3
InChIKeyMWXHUCRBVZSQJU-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.12
Rot. Bonds4

About 5-hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one

5-hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one (PubChem CID 142777716) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one
PubChem CID142777716
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one
SMILESCC(C)CCn1nc(C(C)C)c(O)cc1=O
InChIInChI=1S/C12H20N2O2/c1-8(2)5-6-14-11(16)7-10(15)12(13-14)9(3)4/h7-9,15H,5-6H2,1-4H3
InChIKeyMWXHUCRBVZSQJU-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

6-Tert-butyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazine-4-carbonitrile
CID 57605079
5-Hydroxy-2-methyl-6-propan-2-ylpyridazin-3-one
CID 164745570
2-(2-Cyclohexylethyl)-5-hydroxy-6-propan-2-ylpyridazin-3-one
CID 174586914
2-(4-Hydroxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetic acid
CID 175788027
2-(3-Hydroxy-3-methylbutyl)-6-methylpyridazin-3-one
CID 79361714
2-Ethyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82442178
6-(2-Hydroxypropan-2-yl)-2-propylpyridazin-3-one
CID 82442260
6-(2-Hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
CID 82442339
2-Butyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82442412
2-Ethyl-5-(2-methylpropoxy)-6-propan-2-ylpyridazin-3-one
CID 164914096

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 5-hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one (CID 142777716) is 5-hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one is CC(C)CCn1nc(C(C)C)c(O)cc1=O.
What is the InChIKey of 5-hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one?
The InChIKey is MWXHUCRBVZSQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(2)5-6-14-11(16)7-10(15)12(13-14)9(3)4/h7-9,15H,5-6H2,1-4H3.
What are the key properties of 5-hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one?
5-hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one has a molecular weight of 224.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 142777716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).