2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one

C22H22N4O3 — CID 112763043

IUPAC2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
SMILESO=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H22N4O3/c27-19-8-6-18(7-9-19)24-12-14-25(15-13-24)22(29)20-10-11-21(28)26(23-20)16-17-4-2-1-3-5-17/h1-11,27H,12-16H2
InChIKeyFQWKOBGHAFSYIX-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.96
Rot. Bonds4

About 2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one

2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one (PubChem CID 112763043) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
PubChem CID112763043
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
SMILESO=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H22N4O3/c27-19-8-6-18(7-9-19)24-12-14-25(15-13-24)22(29)20-10-11-21(28)26(23-20)16-17-4-2-1-3-5-17/h1-11,27H,12-16H2
InChIKeyFQWKOBGHAFSYIX-UHFFFAOYSA-N
XLogP1.96
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-6-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]pyridazin-3-one
CID 134021721
2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride
CID 119403547
2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
CID 9415255
6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 42161951
2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one
CID 39712553
2-benzyl-6-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 112814496
1-(1-benzyl-6-oxopyridazine-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256456
2-benzyl-6-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carbonyl]pyridazin-3-one
CID 86877419
1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 51157406
3-[1-(1-benzyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 17393806
1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide
CID 2469379
4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid
CID 154743508

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one (CID 112763043) is 2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one is O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is FQWKOBGHAFSYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-19-8-6-18(7-9-19)24-12-14-25(15-13-24)22(29)20-10-11-21(28)26(23-20)16-17-4-2-1-3-5-17/h1-11,27H,12-16H2.
What are the key properties of 2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one?
2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 390.44 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 112763043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).