4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one

C17H22N2O3 — CID 82444384

IUPAC4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one
SMILESCCCOc1ccc(-c2cc(C(C)(C)O)c(=O)n(C)n2)cc1
InChIInChI=1S/C17H22N2O3/c1-5-10-22-13-8-6-12(7-9-13)15-11-14(17(2,3)21)16(20)19(4)18-15/h6-9,11,21H,5,10H2,1-4H3
InChIKeyAANGVPUVEFLFIV-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.46
Rot. Bonds5

About 4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one

4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one (PubChem CID 82444384) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one
PubChem CID82444384
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one
SMILESCCCOc1ccc(-c2cc(C(C)(C)O)c(=O)n(C)n2)cc1
InChIInChI=1S/C17H22N2O3/c1-5-10-22-13-8-6-12(7-9-13)15-11-14(17(2,3)21)16(20)19(4)18-15/h6-9,11,21H,5,10H2,1-4H3
InChIKeyAANGVPUVEFLFIV-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one
CID 82444386
2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one
CID 82447051
4-(chloromethyl)-6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 82444338
6-(4-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde
CID 82444330
6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one
CID 82444331
6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 7660164
2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82444919
4-(chloromethyl)-2-ethyl-6-(4-propoxyphenyl)pyridazin-3-one
CID 82445160
4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one
CID 82444242
6-(3-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82445060
6-[4-(3-chloropropoxy)phenyl]-2-methylpyridazin-3-one
CID 53363621
5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole
CID 53360252

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one (CID 82444384) is 4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one is CCCOc1ccc(-c2cc(C(C)(C)O)c(=O)n(C)n2)cc1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one?
The InChIKey is AANGVPUVEFLFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-5-10-22-13-8-6-12(7-9-13)15-11-14(17(2,3)21)16(20)19(4)18-15/h6-9,11,21H,5,10H2,1-4H3.
What are the key properties of 4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one?
4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one has a molecular weight of 302.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 82444384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).