6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

C17H18Cl2N4O3 — CID 55557861

IUPAC6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CCC1=O
InChIInChI=1S/C17H18Cl2N4O3/c1-21-15(24)3-2-14(20-21)17(26)23-6-4-22(5-7-23)16(25)11-8-12(18)10-13(19)9-11/h8-10H,2-7H2,1H3
InChIKeyYAJRKTZNCHIVCO-UHFFFAOYSA-N
MW397.26 g/mol
LogP1.89
Rot. Bonds2

About 6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (PubChem CID 55557861) has the molecular formula C17H18Cl2N4O3 and a molecular weight of 397.26 g/mol. Its IUPAC name is 6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
PubChem CID55557861
Molecular FormulaC17H18Cl2N4O3
Molecular Weight397.26 g/mol
Exact Mass396.08
IUPAC Name6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CCC1=O
InChIInChI=1S/C17H18Cl2N4O3/c1-21-15(24)3-2-14(20-21)17(26)23-6-4-22(5-7-23)16(25)11-8-12(18)10-13(19)9-11/h8-10H,2-7H2,1H3
InChIKeyYAJRKTZNCHIVCO-UHFFFAOYSA-N
XLogP1.89
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (CID 55557861) is 6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is CN1N=C(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CCC1=O.
What is the InChIKey of 6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The InChIKey is YAJRKTZNCHIVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O3/c1-21-15(24)3-2-14(20-21)17(26)23-6-4-22(5-7-23)16(25)11-8-12(18)10-13(19)9-11/h8-10H,2-7H2,1H3.
What are the key properties of 6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one has a molecular weight of 397.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 55557861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).