4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one

C16H20N2O2 — CID 82446598

IUPAC4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccccc2)cc(C(C)(C)O)c1=O
InChIInChI=1S/C16H20N2O2/c1-4-10-18-15(19)13(16(2,3)20)11-14(17-18)12-8-6-5-7-9-12/h5-9,11,20H,4,10H2,1-3H3
InChIKeySQBFNPSYGUHDSN-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.55
Rot. Bonds4

About 4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one

4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one (PubChem CID 82446598) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one
PubChem CID82446598
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccccc2)cc(C(C)(C)O)c1=O
InChIInChI=1S/C16H20N2O2/c1-4-10-18-15(19)13(16(2,3)20)11-14(17-18)12-8-6-5-7-9-12/h5-9,11,20H,4,10H2,1-3H3
InChIKeySQBFNPSYGUHDSN-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one
CID 82447051
2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82444919
3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile
CID 82446579
6-(3-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82445060
6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447358
4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one
CID 82444384
4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one
CID 82446587
2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one
CID 82445328
3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one
CID 82521239
2-butyl-3-oxo-6-phenylpyridazine-4-carbothioamide
CID 82447022
7,13-dimethyl-4-phenyl-11-propyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one
CID 11850775
4-(hydroxymethyl)-6-(3-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446808

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one (CID 82446598) is 4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one is CCCn1nc(-c2ccccc2)cc(C(C)(C)O)c1=O.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one?
The InChIKey is SQBFNPSYGUHDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-10-18-15(19)13(16(2,3)20)11-14(17-18)12-8-6-5-7-9-12/h5-9,11,20H,4,10H2,1-3H3.
What are the key properties of 4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one?
4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one has a molecular weight of 272.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one is sourced from PubChem (CID 82446598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).