5-chloro-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyridazin-6-one

C15H16Cl2N4O — CID 26436423

IUPAC5-chloro-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESCc1ccc(Cl)cc1N1CCN(c2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C15H16Cl2N4O/c1-10-2-3-11(16)8-12(10)20-4-6-21(7-5-20)13-9-18-19-15(22)14(13)17/h2-3,8-9H,4-7H2,1H3,(H,19,22)
InChIKeyPHUYAIJCAAZMDT-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.71
Rot. Bonds2

About 5-chloro-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 26436423) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is 5-chloro-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID26436423
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name5-chloro-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESCc1ccc(Cl)cc1N1CCN(c2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C15H16Cl2N4O/c1-10-2-3-11(16)8-12(10)20-4-6-21(7-5-20)13-9-18-19-15(22)14(13)17/h2-3,8-9H,4-7H2,1H3,(H,19,22)
InChIKeyPHUYAIJCAAZMDT-UHFFFAOYSA-N
XLogP2.71
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyridazin-6-one (CID 26436423) is 5-chloro-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyridazin-6-one is Cc1ccc(Cl)cc1N1CCN(c2cn[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is PHUYAIJCAAZMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-10-2-3-11(16)8-12(10)20-4-6-21(7-5-20)13-9-18-19-15(22)14(13)17/h2-3,8-9H,4-7H2,1H3,(H,19,22).
What are the key properties of 5-chloro-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 339.23 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 26436423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).