4-chloro-2-(4-chlorophenyl)-5-[4-(4-methylpentanoyl)piperazin-1-yl]pyridazin-3-one

C20H24Cl2N4O2 — CID 133270310

IUPAC4-chloro-2-(4-chlorophenyl)-5-[4-(4-methylpentanoyl)piperazin-1-yl]pyridazin-3-one
SMILESCC(C)CCC(=O)N1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC1
InChIInChI=1S/C20H24Cl2N4O2/c1-14(2)3-8-18(27)25-11-9-24(10-12-25)17-13-23-26(20(28)19(17)22)16-6-4-15(21)5-7-16/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyAJDPYVOJGMDOAK-UHFFFAOYSA-N
MW423.34 g/mol
LogP3.62
Rot. Bonds5

About 4-chloro-2-(4-chlorophenyl)-5-[4-(4-methylpentanoyl)piperazin-1-yl]pyridazin-3-one

4-chloro-2-(4-chlorophenyl)-5-[4-(4-methylpentanoyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 133270310) has the molecular formula C20H24Cl2N4O2 and a molecular weight of 423.34 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)-5-[4-(4-methylpentanoyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)-5-[4-(4-methylpentanoyl)piperazin-1-yl]pyridazin-3-one
PubChem CID133270310
Molecular FormulaC20H24Cl2N4O2
Molecular Weight423.34 g/mol
Exact Mass422.13
IUPAC Name4-chloro-2-(4-chlorophenyl)-5-[4-(4-methylpentanoyl)piperazin-1-yl]pyridazin-3-one
SMILESCC(C)CCC(=O)N1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC1
InChIInChI=1S/C20H24Cl2N4O2/c1-14(2)3-8-18(27)25-11-9-24(10-12-25)17-13-23-26(20(28)19(17)22)16-6-4-15(21)5-7-16/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyAJDPYVOJGMDOAK-UHFFFAOYSA-N
XLogP3.62
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenyl)-5-[4-(4-methylpentanoyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)-5-[4-(4-methylpentanoyl)piperazin-1-yl]pyridazin-3-one (CID 133270310) is 4-chloro-2-(4-chlorophenyl)-5-[4-(4-methylpentanoyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)-5-[4-(4-methylpentanoyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)-5-[4-(4-methylpentanoyl)piperazin-1-yl]pyridazin-3-one is CC(C)CCC(=O)N1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC1.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)-5-[4-(4-methylpentanoyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is AJDPYVOJGMDOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O2/c1-14(2)3-8-18(27)25-11-9-24(10-12-25)17-13-23-26(20(28)19(17)22)16-6-4-15(21)5-7-16/h4-7,13-14H,3,8-12H2,1-2H3.
What are the key properties of 4-chloro-2-(4-chlorophenyl)-5-[4-(4-methylpentanoyl)piperazin-1-yl]pyridazin-3-one?
4-chloro-2-(4-chlorophenyl)-5-[4-(4-methylpentanoyl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 423.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenyl)-5-[4-(4-methylpentanoyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 133270310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).