6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one

C16H20N2O2 — CID 82446684

IUPAC6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccc(C)c(C)c2)cc(CO)c1=O
InChIInChI=1S/C16H20N2O2/c1-4-7-18-16(20)14(10-19)9-15(17-18)13-6-5-11(2)12(3)8-13/h5-6,8-9,19H,4,7,10H2,1-3H3
InChIKeyDCJFLTOSCGFMLB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.43
Rot. Bonds4

About 6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one

6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one (PubChem CID 82446684) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one
PubChem CID82446684
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccc(C)c(C)c2)cc(CO)c1=O
InChIInChI=1S/C16H20N2O2/c1-4-7-18-16(20)14(10-19)9-15(17-18)13-6-5-11(2)12(3)8-13/h5-6,8-9,19H,4,7,10H2,1-3H3
InChIKeyDCJFLTOSCGFMLB-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-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-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one
CID 82446687
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446847
4-(hydroxymethyl)-6-(3-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446808
2-[6-(3,4-dimethylphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile
CID 82444849
4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one
CID 82446954
2-butyl-6-(3,4-dimethylphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82447089
6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one
CID 82444930
2-butyl-6-(3,4-dimethylphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447088
6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one
CID 82105402
6-(3-chloro-4-methoxyphenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one
CID 82445230
6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82446742
4-(butylaminomethyl)-6-(3,4-dimethylphenyl)-2-methylpyridazin-3-one
CID 82443929

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one?
The IUPAC name of 6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one (CID 82446684) is 6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one?
The canonical SMILES for 6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one is CCCn1nc(-c2ccc(C)c(C)c2)cc(CO)c1=O.
What is the InChIKey of 6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one?
The InChIKey is DCJFLTOSCGFMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-7-18-16(20)14(10-19)9-15(17-18)13-6-5-11(2)12(3)8-13/h5-6,8-9,19H,4,7,10H2,1-3H3.
What are the key properties of 6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one?
6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one has a molecular weight of 272.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one is sourced from PubChem (CID 82446684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).