4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one

C15H18N2O3 — CID 82446847

IUPAC4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccc(OC)cc2)cc(CO)c1=O
InChIInChI=1S/C15H18N2O3/c1-3-8-17-15(19)12(10-18)9-14(16-17)11-4-6-13(20-2)7-5-11/h4-7,9,18H,3,8,10H2,1-2H3
InChIKeyCSOBRJKNTRGATL-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.82
Rot. Bonds5

About 4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one

4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one (PubChem CID 82446847) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
PubChem CID82446847
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccc(OC)cc2)cc(CO)c1=O
InChIInChI=1S/C15H18N2O3/c1-3-8-17-15(19)12(10-18)9-14(16-17)11-4-6-13(20-2)7-5-11/h4-7,9,18H,3,8,10H2,1-2H3
InChIKeyCSOBRJKNTRGATL-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one?
The IUPAC name of 4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one (CID 82446847) is 4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one?
The canonical SMILES for 4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one is CCCn1nc(-c2ccc(OC)cc2)cc(CO)c1=O.
What is the InChIKey of 4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one?
The InChIKey is CSOBRJKNTRGATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-8-17-15(19)12(10-18)9-14(16-17)11-4-6-13(20-2)7-5-11/h4-7,9,18H,3,8,10H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one?
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one has a molecular weight of 274.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one is sourced from PubChem (CID 82446847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).