2-(2-hydroxy-3-propan-2-yloxypropyl)-6-phenylpyridazin-3-one

C16H20N2O3 — CID 110905257

IUPAC2-(2-hydroxy-3-propan-2-yloxypropyl)-6-phenylpyridazin-3-one
SMILESCC(C)OCC(O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C16H20N2O3/c1-12(2)21-11-14(19)10-18-16(20)9-8-15(17-18)13-6-4-3-5-7-13/h3-9,12,14,19H,10-11H2,1-2H3
InChIKeyQJHCPTUVQLRHBG-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.70
Rot. Bonds6

About 2-(2-hydroxy-3-propan-2-yloxypropyl)-6-phenylpyridazin-3-one

2-(2-hydroxy-3-propan-2-yloxypropyl)-6-phenylpyridazin-3-one (PubChem CID 110905257) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(2-hydroxy-3-propan-2-yloxypropyl)-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-3-propan-2-yloxypropyl)-6-phenylpyridazin-3-one
PubChem CID110905257
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(2-hydroxy-3-propan-2-yloxypropyl)-6-phenylpyridazin-3-one
SMILESCC(C)OCC(O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C16H20N2O3/c1-12(2)21-11-14(19)10-18-16(20)9-8-15(17-18)13-6-4-3-5-7-13/h3-9,12,14,19H,10-11H2,1-2H3
InChIKeyQJHCPTUVQLRHBG-UHFFFAOYSA-N
XLogP1.70
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-phenyltriazol-1-yl)-3-propan-2-yloxypropan-2-ol
CID 139241140
2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one
CID 110905256
N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 111429019
2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 110910975
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
2-[2-hydroxy-3-(2-methylpropoxy)propyl]-6-phenyl-4-(trifluoromethyl)pyridazin-3-one
CID 154836010
3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
CID 4086163
1-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yloxypropan-2-ol
CID 63988452
2-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 60612567
methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate
CID 91901510
3-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]butanoic acid
CID 56922525
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 124854962

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-propan-2-yloxypropyl)-6-phenylpyridazin-3-one?
The IUPAC name of 2-(2-hydroxy-3-propan-2-yloxypropyl)-6-phenylpyridazin-3-one (CID 110905257) is 2-(2-hydroxy-3-propan-2-yloxypropyl)-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxy-3-propan-2-yloxypropyl)-6-phenylpyridazin-3-one?
The canonical SMILES for 2-(2-hydroxy-3-propan-2-yloxypropyl)-6-phenylpyridazin-3-one is CC(C)OCC(O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of 2-(2-hydroxy-3-propan-2-yloxypropyl)-6-phenylpyridazin-3-one?
The InChIKey is QJHCPTUVQLRHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(2)21-11-14(19)10-18-16(20)9-8-15(17-18)13-6-4-3-5-7-13/h3-9,12,14,19H,10-11H2,1-2H3.
What are the key properties of 2-(2-hydroxy-3-propan-2-yloxypropyl)-6-phenylpyridazin-3-one?
2-(2-hydroxy-3-propan-2-yloxypropyl)-6-phenylpyridazin-3-one has a molecular weight of 288.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-propan-2-yloxypropyl)-6-phenylpyridazin-3-one is sourced from PubChem (CID 110905257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).